71571541 -OEChem-04242410502D 71 72 0 1 0 0 0 0 0999 V2000 18.3408 -0.5464 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.3779 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1571 0.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1786 -2.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 -0.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6434 -0.7773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9981 -0.7262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3376 -1.1374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8666 0.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8408 -2.0853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6923 -1.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4844 -2.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9492 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5333 -2.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2275 -2.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3039 -0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5608 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3865 -1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0807 -1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6097 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0318 -1.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5455 -0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6008 -1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6498 -1.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3408 -0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3440 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8088 -2.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9155 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8212 -0.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3555 -2.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3417 -1.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9437 -2.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7249 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8127 -3.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6883 -3.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6424 -2.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7723 -0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7435 0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9639 0.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8153 -0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5950 -0.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8692 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0493 0.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 0.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 -2.1882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3718 -2.3540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1211 -0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9008 -0.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1519 -0.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6744 0.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9390 -0.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1905 -1.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 1.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9763 -0.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7589 -1.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8047 -0.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9291 -0.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2023 -2.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9377 -3.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4152 -2.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 0.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 0.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 3.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 33 1 0 0 0 0 2 35 1 0 0 0 0 3 15 2 0 0 0 0 4 21 2 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 31 2 0 0 0 0 13 7 1 1 0 0 0 7 21 1 0 0 0 0 7 44 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 49 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 25 1 0 0 0 0 10 23 1 0 0 0 0 10 31 1 0 0 0 0 10 60 1 0 0 0 0 11 24 1 0 0 0 0 11 27 2 0 0 0 0 12 34 1 0 0 0 0 12 35 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 28 2 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 26 59 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 34 2 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 M END > 71571541 > 1 > 684 > 8 > 3 > 14 > AAADcfB7uABgAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAB4AAAHgQQAAAADSjl1gaviRPIFAisARV3XACA8KBRCjhAUJ24bAGARBBgoSgcAAgKFgLgIAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > thiazol-5-ylmethyl N-[4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]butyl]carbamate > N-[4-[[(2S)-3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]butyl]carbamic acid 5-thiazolylmethyl ester > 1,3-thiazol-5-ylmethyl N-[4-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]carbamate > 1,3-thiazol-5-ylmethyl N-[4-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]carbamate > 1,3-thiazol-5-ylmethyl N-[4-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]carbamate > N-[4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]butyl]carbamic acid thiazol-5-ylmethyl ester > InChI=1S/C23H36N6O4S2/c1-15(2)19(28-22(31)29(5)11-17-13-34-21(27-17)16(3)4)20(30)25-8-6-7-9-26-23(32)33-12-18-10-24-14-35-18/h10,13-16,19H,6-9,11-12H2,1-5H3,(H,25,30)(H,26,32)(H,28,31)/t19-/m0/s1 > OWSUPSVMUSHQHC-IBGZPJMESA-N > 3 > 524.22394600 > C23H36N6O4S2 > 524.7 > CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NCCCCNC(=O)OCC2=CN=CS2 > CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCC2=CN=CS2 > 182 > 524.22394600 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 27 8 1 28 8 11 24 8 11 27 8 12 34 8 12 35 8 2 33 8 2 35 8 24 28 8 33 34 8 13 7 5 $$$$