(3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid

C248H281Cl3F3N29O68S — CID 158910358

IUPAC(3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)NC(CC(=O)O)C(=O)c1ncc(-c2ccccc2)[nH]1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)NC(CC(=O)O)C(=O)c1ncc[nH]1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)C1=CCC=N1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2c(Cl)cccc2Cl)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2C(F)(F)F)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2Cl)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncco1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1nccs1
InChIInChI=1S/C31H32F3N3O8.C30H31Cl2N3O8.C30H32ClN3O8.C30H34N4O7.C30H33N3O8.C25H31N3O7.C24H30N4O7.C24H29N3O8.C24H29N3O7S/c1-17(2)26(37-30(43)44-16-19-9-5-4-6-10-19)23(38)13-18(3)28(42)36-22(14-25(39)40)27(41)29-35-15-24(45-29)20-11-7-8-12-21(20)31(32,33)34;1-16(2)26(35-30(41)42-15-18-8-5-4-6-9-18)22(36)12-17(3)28(40)34-21(13-24(37)38)27(39)29-33-14-23(43-29)25-19(31)10-7-11-20(25)32;1-17(2)26(34-30(40)41-16-19-9-5-4-6-10-19)23(35)13-18(3)28(39)33-22(14-25(36)37)27(38)29-32-15-24(42-29)20-11-7-8-12-21(20)31;1-18(2)26(34-30(40)41-17-20-10-6-4-7-11-20)24(35)14-19(3)29(39)33-22(15-25(36)37)27(38)28-31-16-23(32-28)21-12-8-5-9-13-21;1-18(2)26(33-30(39)40-17-20-10-6-4-7-11-20)23(34)14-19(3)28(38)32-22(15-25(35)36)27(37)29-31-16-24(41-29)21-12-8-5-9-13-21;1-15(2)22(28-25(34)35-14-17-8-5-4-6-9-17)20(29)12-16(3)24(33)27-19(13-21(30)31)23(32)18-10-7-11-26-18;1-14(2)20(28-24(34)35-13-16-7-5-4-6-8-16)18(29)11-15(3)23(33)27-17(12-19(30)31)21(32)22-25-9-10-26-22;1-14(2)20(27-24(33)35-13-16-7-5-4-6-8-16)18(28)11-15(3)22(32)26-17(12-19(29)30)21(31)23-25-9-10-34-23;1-14(2)20(27-24(33)34-13-16-7-5-4-6-8-16)18(28)11-15(3)22(32)26-17(12-19(29)30)21(31)23-25-9-10-35-23/h4-12,15,17-18,22,26H,13-14,16H2,1-3H3,(H,36,42)(H,37,43)(H,39,40);4-11,14,16-17,21,26H,12-13,15H2,1-3H3,(H,34,40)(H,35,41)(H,37,38);4-12,15,17-18,22,26H,13-14,16H2,1-3H3,(H,33,39)(H,34,40)(H,36,37);4-13,16,18-19,22,26H,14-15,17H2,1-3H3,(H,31,32)(H,33,39)(H,34,40)(H,36,37);4-13,16,18-19,22,26H,14-15,17H2,1-3H3,(H,32,38)(H,33,39)(H,35,36);4-6,8-11,15-16,19,22H,7,12-14H2,1-3H3,(H,27,33)(H,28,34)(H,30,31);4-10,14-15,17,20H,11-13H2,1-3H3,(H,25,26)(H,27,33)(H,28,34)(H,30,31);2*4-10,14-15,17,20H,11-13H2,1-3H3,(H,26,32)(H,27,33)(H,29,30)/t18-,22+,26+;17-,21+,26+;18-,22+,26+;19-,22?,26+;19-,22+,26+;16-,19+,22+;15-,17?,20+;2*15-,17+,20+/m111111111/s1
InChIKeyJGOLQGZGETYMGG-GYQOWDPUSA-N
MW4951.53 g/mol
LogP32.58
Rot. Bonds122

About (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid

(3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid (PubChem CID 158910358) has the molecular formula C248H281Cl3F3N29O68S and a molecular weight of 4951.53 g/mol. Its IUPAC name is (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid.

Molecular Properties

Compound Name(3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid
PubChem CID158910358
Molecular FormulaC248H281Cl3F3N29O68S
Molecular Weight4951.53 g/mol
Exact Mass4946.82
IUPAC Name(3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)NC(CC(=O)O)C(=O)c1ncc(-c2ccccc2)[nH]1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)NC(CC(=O)O)C(=O)c1ncc[nH]1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)C1=CCC=N1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2c(Cl)cccc2Cl)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2C(F)(F)F)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2Cl)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncco1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1nccs1
InChIInChI=1S/C31H32F3N3O8.C30H31Cl2N3O8.C30H32ClN3O8.C30H34N4O7.C30H33N3O8.C25H31N3O7.C24H30N4O7.C24H29N3O8.C24H29N3O7S/c1-17(2)26(37-30(43)44-16-19-9-5-4-6-10-19)23(38)13-18(3)28(42)36-22(14-25(39)40)27(41)29-35-15-24(45-29)20-11-7-8-12-21(20)31(32,33)34;1-16(2)26(35-30(41)42-15-18-8-5-4-6-9-18)22(36)12-17(3)28(40)34-21(13-24(37)38)27(39)29-33-14-23(43-29)25-19(31)10-7-11-20(25)32;1-17(2)26(34-30(40)41-16-19-9-5-4-6-10-19)23(35)13-18(3)28(39)33-22(14-25(36)37)27(38)29-32-15-24(42-29)20-11-7-8-12-21(20)31;1-18(2)26(34-30(40)41-17-20-10-6-4-7-11-20)24(35)14-19(3)29(39)33-22(15-25(36)37)27(38)28-31-16-23(32-28)21-12-8-5-9-13-21;1-18(2)26(33-30(39)40-17-20-10-6-4-7-11-20)23(34)14-19(3)28(38)32-22(15-25(35)36)27(37)29-31-16-24(41-29)21-12-8-5-9-13-21;1-15(2)22(28-25(34)35-14-17-8-5-4-6-9-17)20(29)12-16(3)24(33)27-19(13-21(30)31)23(32)18-10-7-11-26-18;1-14(2)20(28-24(34)35-13-16-7-5-4-6-8-16)18(29)11-15(3)23(33)27-17(12-19(30)31)21(32)22-25-9-10-26-22;1-14(2)20(27-24(33)35-13-16-7-5-4-6-8-16)18(28)11-15(3)22(32)26-17(12-19(29)30)21(31)23-25-9-10-34-23;1-14(2)20(27-24(33)34-13-16-7-5-4-6-8-16)18(28)11-15(3)22(32)26-17(12-19(29)30)21(31)23-25-9-10-35-23/h4-12,15,17-18,22,26H,13-14,16H2,1-3H3,(H,36,42)(H,37,43)(H,39,40);4-11,14,16-17,21,26H,12-13,15H2,1-3H3,(H,34,40)(H,35,41)(H,37,38);4-12,15,17-18,22,26H,13-14,16H2,1-3H3,(H,33,39)(H,34,40)(H,36,37);4-13,16,18-19,22,26H,14-15,17H2,1-3H3,(H,31,32)(H,33,39)(H,34,40)(H,36,37);4-13,16,18-19,22,26H,14-15,17H2,1-3H3,(H,32,38)(H,33,39)(H,35,36);4-6,8-11,15-16,19,22H,7,12-14H2,1-3H3,(H,27,33)(H,28,34)(H,30,31);4-10,14-15,17,20H,11-13H2,1-3H3,(H,25,26)(H,27,33)(H,28,34)(H,30,31);2*4-10,14-15,17,20H,11-13H2,1-3H3,(H,26,32)(H,27,33)(H,29,30)/t18-,22+,26+;17-,21+,26+;18-,22+,26+;19-,22?,26+;19-,22+,26+;16-,19+,22+;15-,17?,20+;2*15-,17+,20+/m111111111/s1
InChIKeyJGOLQGZGETYMGG-GYQOWDPUSA-N
XLogP32.58
TPSA1462.59 Ų
H-Bond Donors29
H-Bond Acceptors69
Rotatable Bonds122
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004951.53
LogP ≤ 532.58
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1069

Analyze (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid?
The IUPAC name of (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid (CID 158910358) is (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid.
What is the SMILES notation for (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid?
The canonical SMILES for (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid is CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)NC(CC(=O)O)C(=O)c1ncc(-c2ccccc2)[nH]1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)NC(CC(=O)O)C(=O)c1ncc[nH]1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)C1=CCC=N1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2c(Cl)cccc2Cl)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2C(F)(F)F)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2Cl)o1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1ncco1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)c1nccs1.
What is the InChIKey of (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid?
The InChIKey is JGOLQGZGETYMGG-GYQOWDPUSA-N. The full InChI is InChI=1S/C31H32F3N3O8.C30H31Cl2N3O8.C30H32ClN3O8.C30H34N4O7.C30H33N3O8.C25H31N3O7.C24H30N4O7.C24H29N3O8.C24H29N3O7S/c1-17(2)26(37-30(43)44-16-19-9-5-4-6-10-19)23(38)13-18(3)28(42)36-22(14-25(39)40)27(41)29-35-15-24(45-29)20-11-7-8-12-21(20)31(32,33)34;1-16(2)26(35-30(41)42-15-18-8-5-4-6-9-18)22(36)12-17(3)28(40)34-21(13-24(37)38)27(39)29-33-14-23(43-29)25-19(31)10-7-11-20(25)32;1-17(2)26(34-30(40)41-16-19-9-5-4-6-10-19)23(35)13-18(3)28(39)33-22(14-25(36)37)27(38)29-32-15-24(42-29)20-11-7-8-12-21(20)31;1-18(2)26(34-30(40)41-17-20-10-6-4-7-11-20)24(35)14-19(3)29(39)33-22(15-25(36)37)27(38)28-31-16-23(32-28)21-12-8-5-9-13-21;1-18(2)26(33-30(39)40-17-20-10-6-4-7-11-20)23(34)14-19(3)28(38)32-22(15-25(35)36)27(37)29-31-16-24(41-29)21-12-8-5-9-13-21;1-15(2)22(28-25(34)35-14-17-8-5-4-6-9-17)20(29)12-16(3)24(33)27-19(13-21(30)31)23(32)18-10-7-11-26-18;1-14(2)20(28-24(34)35-13-16-7-5-4-6-8-16)18(29)11-15(3)23(33)27-17(12-19(30)31)21(32)22-25-9-10-26-22;1-14(2)20(27-24(33)35-13-16-7-5-4-6-8-16)18(28)11-15(3)22(32)26-17(12-19(29)30)21(31)23-25-9-10-34-23;1-14(2)20(27-24(33)34-13-16-7-5-4-6-8-16)18(28)11-15(3)22(32)26-17(12-19(29)30)21(31)23-25-9-10-35-23/h4-12,15,17-18,22,26H,13-14,16H2,1-3H3,(H,36,42)(H,37,43)(H,39,40);4-11,14,16-17,21,26H,12-13,15H2,1-3H3,(H,34,40)(H,35,41)(H,37,38);4-12,15,17-18,22,26H,13-14,16H2,1-3H3,(H,33,39)(H,34,40)(H,36,37);4-13,16,18-19,22,26H,14-15,17H2,1-3H3,(H,31,32)(H,33,39)(H,34,40)(H,36,37);4-13,16,18-19,22,26H,14-15,17H2,1-3H3,(H,32,38)(H,33,39)(H,35,36);4-6,8-11,15-16,19,22H,7,12-14H2,1-3H3,(H,27,33)(H,28,34)(H,30,31);4-10,14-15,17,20H,11-13H2,1-3H3,(H,25,26)(H,27,33)(H,28,34)(H,30,31);2*4-10,14-15,17,20H,11-13H2,1-3H3,(H,26,32)(H,27,33)(H,29,30)/t18-,22+,26+;17-,21+,26+;18-,22+,26+;19-,22?,26+;19-,22+,26+;16-,19+,22+;15-,17?,20+;2*15-,17+,20+/m111111111/s1.
What are the key properties of (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid?
(3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid has a molecular weight of 4951.53 g/mol, XLogP of 32.58, 122 rotatable bonds, 29 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;(3S)-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1H-imidazol-2-yl)-4-oxobutanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-(1,3-oxazol-2-yl)-4-oxobutanoic acid;3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(3H-pyrrol-5-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-(1,3-thiazol-2-yl)butanoic acid;(3S)-3-[[(2R,5S)-2,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]butanoic acid is sourced from PubChem (CID 158910358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).