46196711 -OEChem-05042407392D 98 98 0 1 0 0 0 0 0999 V2000 12.0014 2.0411 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9862 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8278 3.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1751 1.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0470 1.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1535 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6535 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 1.8465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8541 2.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4969 3.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6898 0.7541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3478 -0.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9905 -0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1549 4.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4817 3.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6746 0.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6485 -1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9753 -0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0166 1.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3282 3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 3.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3130 3.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 4.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4556 3.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3172 2.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 2.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9018 1.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8108 0.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 -0.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 -0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2590 2.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 4.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 5.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5723 4.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3741 2.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0923 3.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5894 3.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0731 0.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0659 -1.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4365 -2.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2311 -2.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 -1.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5859 -0.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8677 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6181 2.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3282 3.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7177 3.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9038 3.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1764 3.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4207 2.7175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9236 3.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2054 3.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0307 4.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 5.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8096 4.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 34 1 0 0 0 0 2 22 2 0 0 0 0 3 24 2 0 0 0 0 4 32 2 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 14 8 1 1 0 0 0 8 24 1 0 0 0 0 8 57 1 0 0 0 0 19 9 1 6 0 0 0 9 22 1 0 0 0 0 9 59 1 0 0 0 0 17 10 1 1 0 0 0 10 32 1 0 0 0 0 10 66 1 0 0 0 0 11 12 2 0 0 0 0 33 11 1 1 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 17 50 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 19 53 1 0 0 0 0 20 23 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 21 56 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 23 58 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 34 2 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 33 80 1 0 0 0 0 34 81 1 0 0 0 0 35 36 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 41 1 0 0 0 0 37 84 1 0 0 0 0 38 42 2 0 0 0 0 38 85 1 0 0 0 0 39 44 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 45 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 43 2 0 0 0 0 41 90 1 0 0 0 0 42 43 1 0 0 0 0 42 91 1 0 0 0 0 43 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 M CHG 2 12 1 13 -1 M END > 46196711 > 1 > 1030 > 8 > 3 > 21 > AAADcfB/uAIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHggYACAADSjpmAYyAILAARCKQiFSEICCAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-[[(2S)-2-azido-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(1S)-1-[(E)-2-diethoxyphosphorylvinyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide > (2S)-2-[[(2S)-2-azido-1-oxo-3-phenylpropyl]amino]-N-[(2S)-1-[[(E,3S)-1-diethoxyphosphoryl-5-methylhex-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide > (2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(E,3S)-1-diethoxyphosphoryl-5-methylhex-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide > (2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(E,3S)-1-diethoxyphosphoryl-5-methylhex-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide > (2S)-2-[[(2S)-2-azido-3-phenyl-propanoyl]amino]-N-[(2S)-1-[[(E,3S)-1-diethoxyphosphoryl-5-methyl-hex-1-en-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide > (2S)-2-[[(2S)-2-azido-3-phenyl-propanoyl]amino]-N-[(1S)-1-[[(E,1S)-3-diethoxyphosphoryl-1-isobutyl-allyl]carbamoyl]-3-methyl-butyl]-4-methyl-valeramide > InChI=1S/C32H53N6O6P/c1-9-43-45(42,44-10-2)17-16-26(18-22(3)4)34-30(39)27(19-23(5)6)35-31(40)28(20-24(7)8)36-32(41)29(37-38-33)21-25-14-12-11-13-15-25/h11-17,22-24,26-29H,9-10,18-21H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)/b17-16+/t26-,27+,28+,29+/m1/s1 > MAYLHNATMCXZSQ-KQROQYMGSA-N > 6.6 > 648.37642043 > C32H53N6O6P > 648.8 > CCOP(=O)(C=CC(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N=[N+]=[N-])OCC > CCOP(=O)(/C=C/[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)N=[N+]=[N-])OCC > 137 > 648.37642043 > 0 > 45 > 4 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 17 10 5 33 11 5 36 37 8 36 38 8 37 41 8 38 42 8 41 43 8 42 43 8 14 8 5 19 9 6 $$$$