(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide

C367H481N25O58S4 — CID 159363712

IUPAC(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide
SMILESCC(C)C(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)C(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc(N2CCOCC2)nc1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)Cc1ccccc1)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)Cc1ccccc1)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCC(=O)N1CCN(C)CC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccnc(N2CCOCC2)c1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1
InChIInChI=1S/C36H38N2O5S.C36H43NO5.C35H47N3O6.C35H42N2O5S.C35H47NO5.C34H51N3O6.C33H40N2O5S.C32H47N3O6.C32H44N2O5S.C30H39N3O5.C29H43N3O5/c1-23(2)29(35(42)31(39)17-14-25-10-6-4-7-11-25)21-32(40)24(3)38-36(43)28(18-26-12-8-5-9-13-26)19-33(41)27-15-16-30-34(20-27)44-22-37-30;1-23(2)29(34(41)31(38)20-19-25-13-8-7-9-14-25)21-32(39)24(3)37-35(42)30(36(4,5)6)22-33(40)28-18-12-16-26-15-10-11-17-27(26)28;1-23(2)27(33(42)29(39)13-12-25-10-8-7-9-11-25)21-30(40)24(3)37-34(43)28(35(4,5)6)22-31(41)26-14-15-36-32(20-26)38-16-18-44-19-17-38;1-22(2)28(34(41)32(40)17-25-12-8-5-9-13-25)20-30(38)23(3)37-35(42)27(16-24-10-6-4-7-11-24)18-31(39)26-14-15-29-33(19-26)43-21-36-29;1-22(2)28(33(40)32(39)19-24-13-8-7-9-14-24)20-30(37)23(3)36-34(41)29(35(4,5)6)21-31(38)27-18-12-16-25-15-10-11-17-26(25)27;1-22(2)26(32(41)30(40)18-24-10-8-7-9-11-24)19-28(38)23(3)36-33(42)27(34(4,5)6)20-29(39)25-12-13-31(35-21-25)37-14-16-43-17-15-37;1-20(2)24(31(39)27(36)15-12-22-10-8-7-9-11-22)17-28(37)21(3)35-32(40)25(33(4,5)6)18-29(38)23-13-14-26-30(16-23)41-19-34-26;1-21(2)24(30(40)26(36)13-14-29(39)35-17-15-34(7)16-18-35)19-27(37)22(3)33-31(41)25(32(4,5)6)20-28(38)23-11-9-8-10-12-23;1-19(2)23(30(38)28(37)14-21-10-8-7-9-11-21)16-26(35)20(3)34-31(39)24(32(4,5)6)17-27(36)22-12-13-25-29(15-22)40-18-33-25;1-19(2)22(28(37)25(34)13-12-21-10-8-7-9-11-21)16-26(35)20(3)33-29(38)23(30(4,5)6)17-27(36)24-18-31-14-15-32-24;1-18(2)21(27(36)26(35)14-20-10-8-7-9-11-20)15-24(33)19(3)32-28(37)22(29(4,5)6)16-25(34)23-17-30-12-13-31-23/h4-13,15-16,20,22-24,28-29H,14,17-19,21H2,1-3H3,(H,38,43);7-18,23-24,29-30H,19-22H2,1-6H3,(H,37,42);7-11,14-15,20,23-24,27-28H,12-13,16-19,21-22H2,1-6H3,(H,37,43);4,6-7,10-11,14-15,19,21-23,25,27-28H,5,8-9,12-13,16-18,20H2,1-3H3,(H,37,42);10-12,15-18,22-24,28-29H,7-9,13-14,19-21H2,1-6H3,(H,36,41);12-13,21-24,26-27H,7-11,14-20H2,1-6H3,(H,36,42);7-11,13-14,16,19-21,24-25H,12,15,17-18H2,1-6H3,(H,35,40);8-12,21-22,24-25H,13-20H2,1-7H3,(H,33,41);12-13,15,18-21,23-24H,7-11,14,16-17H2,1-6H3,(H,34,39);7-11,14-15,18-20,22-23H,12-13,16-17H2,1-6H3,(H,33,38);12-13,17-22H,7-11,14-16H2,1-6H3,(H,32,37)/t24-,28+,29-;24-,29?,30+;24-,27-,28+;23-,27+,28-;23-,28?,29+;23-,26-,27+;21-,24-,25+;22-,24-,25+;20-,23-,24+;20-,22-,23+;19-,21-,22+/m00000000000/s1
InChIKeyLIVYEJONBAXLPT-HOYDGPDCSA-N
MW6299.27 g/mol
LogP60.51
Rot. Bonds155

About (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide

(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide (PubChem CID 159363712) has the molecular formula C367H481N25O58S4 and a molecular weight of 6299.27 g/mol. Its IUPAC name is (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide
PubChem CID159363712
Molecular FormulaC367H481N25O58S4
Molecular Weight6299.27 g/mol
Exact Mass6294.43
IUPAC Name(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide
SMILESCC(C)C(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)C(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc(N2CCOCC2)nc1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)Cc1ccccc1)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)Cc1ccccc1)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCC(=O)N1CCN(C)CC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccnc(N2CCOCC2)c1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1
InChIInChI=1S/C36H38N2O5S.C36H43NO5.C35H47N3O6.C35H42N2O5S.C35H47NO5.C34H51N3O6.C33H40N2O5S.C32H47N3O6.C32H44N2O5S.C30H39N3O5.C29H43N3O5/c1-23(2)29(35(42)31(39)17-14-25-10-6-4-7-11-25)21-32(40)24(3)38-36(43)28(18-26-12-8-5-9-13-26)19-33(41)27-15-16-30-34(20-27)44-22-37-30;1-23(2)29(34(41)31(38)20-19-25-13-8-7-9-14-25)21-32(39)24(3)37-35(42)30(36(4,5)6)22-33(40)28-18-12-16-26-15-10-11-17-27(26)28;1-23(2)27(33(42)29(39)13-12-25-10-8-7-9-11-25)21-30(40)24(3)37-34(43)28(35(4,5)6)22-31(41)26-14-15-36-32(20-26)38-16-18-44-19-17-38;1-22(2)28(34(41)32(40)17-25-12-8-5-9-13-25)20-30(38)23(3)37-35(42)27(16-24-10-6-4-7-11-24)18-31(39)26-14-15-29-33(19-26)43-21-36-29;1-22(2)28(33(40)32(39)19-24-13-8-7-9-14-24)20-30(37)23(3)36-34(41)29(35(4,5)6)21-31(38)27-18-12-16-25-15-10-11-17-26(25)27;1-22(2)26(32(41)30(40)18-24-10-8-7-9-11-24)19-28(38)23(3)36-33(42)27(34(4,5)6)20-29(39)25-12-13-31(35-21-25)37-14-16-43-17-15-37;1-20(2)24(31(39)27(36)15-12-22-10-8-7-9-11-22)17-28(37)21(3)35-32(40)25(33(4,5)6)18-29(38)23-13-14-26-30(16-23)41-19-34-26;1-21(2)24(30(40)26(36)13-14-29(39)35-17-15-34(7)16-18-35)19-27(37)22(3)33-31(41)25(32(4,5)6)20-28(38)23-11-9-8-10-12-23;1-19(2)23(30(38)28(37)14-21-10-8-7-9-11-21)16-26(35)20(3)34-31(39)24(32(4,5)6)17-27(36)22-12-13-25-29(15-22)40-18-33-25;1-19(2)22(28(37)25(34)13-12-21-10-8-7-9-11-21)16-26(35)20(3)33-29(38)23(30(4,5)6)17-27(36)24-18-31-14-15-32-24;1-18(2)21(27(36)26(35)14-20-10-8-7-9-11-20)15-24(33)19(3)32-28(37)22(29(4,5)6)16-25(34)23-17-30-12-13-31-23/h4-13,15-16,20,22-24,28-29H,14,17-19,21H2,1-3H3,(H,38,43);7-18,23-24,29-30H,19-22H2,1-6H3,(H,37,42);7-11,14-15,20,23-24,27-28H,12-13,16-19,21-22H2,1-6H3,(H,37,43);4,6-7,10-11,14-15,19,21-23,25,27-28H,5,8-9,12-13,16-18,20H2,1-3H3,(H,37,42);10-12,15-18,22-24,28-29H,7-9,13-14,19-21H2,1-6H3,(H,36,41);12-13,21-24,26-27H,7-11,14-20H2,1-6H3,(H,36,42);7-11,13-14,16,19-21,24-25H,12,15,17-18H2,1-6H3,(H,35,40);8-12,21-22,24-25H,13-20H2,1-7H3,(H,33,41);12-13,15,18-21,23-24H,7-11,14,16-17H2,1-6H3,(H,34,39);7-11,14-15,18-20,22-23H,12-13,16-17H2,1-6H3,(H,33,38);12-13,17-22H,7-11,14-16H2,1-6H3,(H,32,37)/t24-,28+,29-;24-,29?,30+;24-,27-,28+;23-,27+,28-;23-,28?,29+;23-,26-,27+;21-,24-,25+;22-,24-,25+;20-,23-,24+;20-,22-,23+;19-,21-,22+/m00000000000/s1
InChIKeyLIVYEJONBAXLPT-HOYDGPDCSA-N
XLogP60.51
TPSA1248.57 Ų
H-Bond Donors11
H-Bond Acceptors75
Rotatable Bonds155
Heavy Atoms454
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006299.27
LogP ≤ 560.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1075

Analyze (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide?
The IUPAC name of (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide (CID 159363712) is (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide.
What is the SMILES notation for (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide?
The canonical SMILES for (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide is CC(C)C(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)C(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc(N2CCOCC2)nc1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)Cc1ccccc1)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccc2ncsc2c1)Cc1ccccc1)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCC(=O)N1CCN(C)CC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccnc(N2CCOCC2)c1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1.
What is the InChIKey of (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide?
The InChIKey is LIVYEJONBAXLPT-HOYDGPDCSA-N. The full InChI is InChI=1S/C36H38N2O5S.C36H43NO5.C35H47N3O6.C35H42N2O5S.C35H47NO5.C34H51N3O6.C33H40N2O5S.C32H47N3O6.C32H44N2O5S.C30H39N3O5.C29H43N3O5/c1-23(2)29(35(42)31(39)17-14-25-10-6-4-7-11-25)21-32(40)24(3)38-36(43)28(18-26-12-8-5-9-13-26)19-33(41)27-15-16-30-34(20-27)44-22-37-30;1-23(2)29(34(41)31(38)20-19-25-13-8-7-9-14-25)21-32(39)24(3)37-35(42)30(36(4,5)6)22-33(40)28-18-12-16-26-15-10-11-17-27(26)28;1-23(2)27(33(42)29(39)13-12-25-10-8-7-9-11-25)21-30(40)24(3)37-34(43)28(35(4,5)6)22-31(41)26-14-15-36-32(20-26)38-16-18-44-19-17-38;1-22(2)28(34(41)32(40)17-25-12-8-5-9-13-25)20-30(38)23(3)37-35(42)27(16-24-10-6-4-7-11-24)18-31(39)26-14-15-29-33(19-26)43-21-36-29;1-22(2)28(33(40)32(39)19-24-13-8-7-9-14-24)20-30(37)23(3)36-34(41)29(35(4,5)6)21-31(38)27-18-12-16-25-15-10-11-17-26(25)27;1-22(2)26(32(41)30(40)18-24-10-8-7-9-11-24)19-28(38)23(3)36-33(42)27(34(4,5)6)20-29(39)25-12-13-31(35-21-25)37-14-16-43-17-15-37;1-20(2)24(31(39)27(36)15-12-22-10-8-7-9-11-22)17-28(37)21(3)35-32(40)25(33(4,5)6)18-29(38)23-13-14-26-30(16-23)41-19-34-26;1-21(2)24(30(40)26(36)13-14-29(39)35-17-15-34(7)16-18-35)19-27(37)22(3)33-31(41)25(32(4,5)6)20-28(38)23-11-9-8-10-12-23;1-19(2)23(30(38)28(37)14-21-10-8-7-9-11-21)16-26(35)20(3)34-31(39)24(32(4,5)6)17-27(36)22-12-13-25-29(15-22)40-18-33-25;1-19(2)22(28(37)25(34)13-12-21-10-8-7-9-11-21)16-26(35)20(3)33-29(38)23(30(4,5)6)17-27(36)24-18-31-14-15-32-24;1-18(2)21(27(36)26(35)14-20-10-8-7-9-11-20)15-24(33)19(3)32-28(37)22(29(4,5)6)16-25(34)23-17-30-12-13-31-23/h4-13,15-16,20,22-24,28-29H,14,17-19,21H2,1-3H3,(H,38,43);7-18,23-24,29-30H,19-22H2,1-6H3,(H,37,42);7-11,14-15,20,23-24,27-28H,12-13,16-19,21-22H2,1-6H3,(H,37,43);4,6-7,10-11,14-15,19,21-23,25,27-28H,5,8-9,12-13,16-18,20H2,1-3H3,(H,37,42);10-12,15-18,22-24,28-29H,7-9,13-14,19-21H2,1-6H3,(H,36,41);12-13,21-24,26-27H,7-11,14-20H2,1-6H3,(H,36,42);7-11,13-14,16,19-21,24-25H,12,15,17-18H2,1-6H3,(H,35,40);8-12,21-22,24-25H,13-20H2,1-7H3,(H,33,41);12-13,15,18-21,23-24H,7-11,14,16-17H2,1-6H3,(H,34,39);7-11,14-15,18-20,22-23H,12-13,16-17H2,1-6H3,(H,33,38);12-13,17-22H,7-11,14-16H2,1-6H3,(H,32,37)/t24-,28+,29-;24-,29?,30+;24-,27-,28+;23-,27+,28-;23-,28?,29+;23-,26-,27+;21-,24-,25+;22-,24-,25+;20-,23-,24+;20-,22-,23+;19-,21-,22+/m00000000000/s1.
What are the key properties of (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide?
(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide has a molecular weight of 6299.27 g/mol, XLogP of 60.51, 155 rotatable bonds, 11 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-4-oxobutanamide;(2R)-4-(1,3-benzothiazol-6-yl)-2-benzyl-4-oxo-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethylbutanamide;(2S)-2-[2-(1,3-benzothiazol-6-yl)-2-oxoethyl]-3,3-dimethyl-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-[2-(6-morpholin-4-yl-3-pyridinyl)-2-oxoethyl]butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)butanamide;(2S)-N-[(2S,5S)-8-cyclohexyl-3,6,7-trioxo-5-propan-2-yloctan-2-yl]-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-10-(4-methylpiperazin-1-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-[2-(2-morpholin-4-yl-4-pyridinyl)-2-oxoethyl]-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-naphthalen-1-yl-2-oxoethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-pyrazin-2-ylethyl)-N-[(2S,5S)-3,6,7-trioxo-9-phenyl-5-propan-2-ylnonan-2-yl]butanamide is sourced from PubChem (CID 159363712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).