59721372 -OEChem-05122416272D 77 78 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 2.5000 1.1755 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 10.9981 -0.7262 0.0000 N 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 6.8666 0.6632 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 17.8408 -2.0853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -0.0570 0.0000 C 0 0 2 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 12.6923 -1.0863 0.0000 C 0 0 1 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 12.4844 -2.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6097 -0.0060 0.0000 C 0 0 2 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 10.4629 0.9211 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 7.4018 -0.9841 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 5.9155 0.3542 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 17.0318 -1.4975 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 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 3.5827 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8446 0.1345 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 12.8212 -0.4798 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 12.3555 -2.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 -0.1975 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 11.0693 0.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 1.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 1.0500 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 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 6.7953 -0.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2729 -1.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0082 -1.1130 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 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 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 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 4.1196 2.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 35 1 0 0 0 0 2 37 1 0 0 0 0 3 19 2 0 0 0 0 4 24 2 0 0 0 0 5 26 1 0 0 0 0 5 34 1 0 0 0 0 6 26 2 0 0 0 0 13 7 1 6 0 0 0 7 19 1 0 0 0 0 7 46 1 0 0 0 0 15 8 1 1 0 0 0 8 24 1 0 0 0 0 8 50 1 0 0 0 0 18 9 1 6 0 0 0 9 26 1 0 0 0 0 9 60 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 30 2 0 0 0 0 12 36 1 0 0 0 0 12 37 2 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 25 28 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 31 2 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 36 2 0 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 M END > 59721372 > 1 > 744 > 8 > 3 > 14 > AAADcfB7uABgAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAB4AAAHgQQAAAADSjl1gaviRPIFAisARV3XACA8KBRCjhAUJ24bAGARBJgoSgcAAgKFgLgIAEQAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > thiazol-5-ylmethyl N-[(1S,4S)-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-1-methyl-pentyl]carbamate > N-[(2S,5S)-5-[[(2S)-3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]hexan-2-yl]carbamic acid 5-thiazolylmethyl ester > 1,3-thiazol-5-ylmethyl N-[(2S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]hexan-2-yl]carbamate > 1,3-thiazol-5-ylmethyl N-[(2S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]hexan-2-yl]carbamate > 1,3-thiazol-5-ylmethyl N-[(2S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]hexan-2-yl]carbamate > N-[(1S,4S)-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-1-methyl-pentyl]carbamic acid thiazol-5-ylmethyl ester > InChI=1S/C25H40N6O4S2/c1-15(2)21(30-24(33)31(7)11-19-13-36-23(29-19)16(3)4)22(32)27-17(5)8-9-18(6)28-25(34)35-12-20-10-26-14-37-20/h10,13-18,21H,8-9,11-12H2,1-7H3,(H,27,32)(H,28,34)(H,30,33)/t17-,18-,21-/m0/s1 > TYLOVNGZCFIJOG-WFXMLNOXSA-N > 3.8 > 552.25524613 > C25H40N6O4S2 > 552.8 > CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(C)CCC(C)NC(=O)OCC2=CN=CS2 > C[C@@H](CC[C@H](C)NC(=O)OCC1=CN=CS1)NC(=O)[C@H](C(C)C)NC(=O)N(C)CC2=CSC(=N2)C(C)C > 182 > 552.25524613 > 0 > 37 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 30 8 1 31 8 11 28 8 11 30 8 12 36 8 12 37 8 2 35 8 2 37 8 28 31 8 35 36 8 13 7 6 15 8 5 18 9 6 $$$$