(4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

C255H337N37O55S10 — CID 158668703

IUPAC(4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)
SMILESCC(=O)Nc1cccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)c1.CC(=O)Nc1ccccc1CN1C[C@@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[C@H]1C(=O)N(C)C.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccc(NC=O)cc4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4cccc(C(N)=O)c4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4cccc(N(C)C)c4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccccc4C(N)=O)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccccc4N(C)C)C3)[C@H](C)[C@H]12.Cc1ccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)cc1.Cc1ccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)cc1.Cc1cccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)c1C
InChIInChI=1S/2C26H34N4O6S.2C26H36N4O5S.C26H35N3O5S.3C25H32N4O6S.2C25H33N3O5S/c1-13-21-20(14(2)31)25(34)30(21)22(26(35)36)23(13)37-18-10-19(24(33)28(4)5)29(12-18)11-16-7-6-8-17(9-16)27-15(3)32;1-13-21-20(14(2)31)25(34)30(21)22(26(35)36)23(13)37-17-10-19(24(33)28(4)5)29(12-17)11-16-8-6-7-9-18(16)27-15(3)32;1-14-21-20(15(2)31)25(33)30(21)22(26(34)35)23(14)36-18-11-19(24(32)28(5)6)29(13-18)12-16-8-7-9-17(10-16)27(3)4;1-14-21-20(15(2)31)25(33)30(21)22(26(34)35)23(14)36-17-11-19(24(32)28(5)6)29(13-17)12-16-9-7-8-10-18(16)27(3)4;1-13-8-7-9-17(14(13)2)11-28-12-18(10-19(28)24(31)27(5)6)35-23-15(3)21-20(16(4)30)25(32)29(21)22(23)26(33)34;1-13-20-19(14(2)31)24(33)29(20)21(25(34)35)22(13)36-17-9-18(23(32)27(3)4)28(11-17)10-15-5-7-16(8-6-15)26-12-30;1-12-19-18(13(2)30)24(33)29(19)20(25(34)35)21(12)36-16-9-17(23(32)27(3)4)28(11-16)10-14-6-5-7-15(8-14)22(26)31;1-12-19-18(13(2)30)24(33)29(19)20(25(34)35)21(12)36-15-9-17(23(32)27(3)4)28(11-15)10-14-7-5-6-8-16(14)22(26)31;2*1-13-6-8-16(9-7-13)11-27-12-17(10-18(27)23(30)26(4)5)34-22-14(2)20-19(15(3)29)24(31)28(20)21(22)25(32)33/h6-9,13-14,18-21,31H,10-12H2,1-5H3,(H,27,32)(H,35,36);6-9,13-14,17,19-21,31H,10-12H2,1-5H3,(H,27,32)(H,35,36);7-10,14-15,18-21,31H,11-13H2,1-6H3,(H,34,35);7-10,14-15,17,19-21,31H,11-13H2,1-6H3,(H,34,35);7-9,15-16,18-21,30H,10-12H2,1-6H3,(H,33,34);5-8,12-14,17-20,31H,9-11H2,1-4H3,(H,26,30)(H,34,35);5-8,12-13,16-19,30H,9-11H2,1-4H3,(H2,26,31)(H,34,35);5-8,12-13,15,17-19,30H,9-11H2,1-4H3,(H2,26,31)(H,34,35);2*6-9,14-15,17-20,29H,10-12H2,1-5H3,(H,32,33)/t13-,14-,18+,19+,20-,21-;13-,14-,17+,19+,20-,21-;14-,15-,18+,19+,20-,21-;14-,15-,17+,19+,20-,21-;15-,16-,18+,19+,20-,21-;13-,14-,17+,18+,19-,20-;12-,13-,16+,17+,18-,19-;12-,13-,15+,17+,18-,19-;2*14-,15-,17+,18+,19-,20-/m1111111111/s1
InChIKeyIDRJDEVFNLBKBU-BGGQKKOVSA-N
MW5121.38 g/mol
LogP15.09
Rot. Bonds78

About (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

(4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid) (PubChem CID 158668703) has the molecular formula C255H337N37O55S10 and a molecular weight of 5121.38 g/mol. Its IUPAC name is (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid).

Molecular Properties

Compound Name(4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)
PubChem CID158668703
Molecular FormulaC255H337N37O55S10
Molecular Weight5121.38 g/mol
Exact Mass5117.19
IUPAC Name(4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)
SMILESCC(=O)Nc1cccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)c1.CC(=O)Nc1ccccc1CN1C[C@@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[C@H]1C(=O)N(C)C.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccc(NC=O)cc4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4cccc(C(N)=O)c4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4cccc(N(C)C)c4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccccc4C(N)=O)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccccc4N(C)C)C3)[C@H](C)[C@H]12.Cc1ccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)cc1.Cc1ccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)cc1.Cc1cccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)c1C
InChIInChI=1S/2C26H34N4O6S.2C26H36N4O5S.C26H35N3O5S.3C25H32N4O6S.2C25H33N3O5S/c1-13-21-20(14(2)31)25(34)30(21)22(26(35)36)23(13)37-18-10-19(24(33)28(4)5)29(12-18)11-16-7-6-8-17(9-16)27-15(3)32;1-13-21-20(14(2)31)25(34)30(21)22(26(35)36)23(13)37-17-10-19(24(33)28(4)5)29(12-17)11-16-8-6-7-9-18(16)27-15(3)32;1-14-21-20(15(2)31)25(33)30(21)22(26(34)35)23(14)36-18-11-19(24(32)28(5)6)29(13-18)12-16-8-7-9-17(10-16)27(3)4;1-14-21-20(15(2)31)25(33)30(21)22(26(34)35)23(14)36-17-11-19(24(32)28(5)6)29(13-17)12-16-9-7-8-10-18(16)27(3)4;1-13-8-7-9-17(14(13)2)11-28-12-18(10-19(28)24(31)27(5)6)35-23-15(3)21-20(16(4)30)25(32)29(21)22(23)26(33)34;1-13-20-19(14(2)31)24(33)29(20)21(25(34)35)22(13)36-17-9-18(23(32)27(3)4)28(11-17)10-15-5-7-16(8-6-15)26-12-30;1-12-19-18(13(2)30)24(33)29(19)20(25(34)35)21(12)36-16-9-17(23(32)27(3)4)28(11-16)10-14-6-5-7-15(8-14)22(26)31;1-12-19-18(13(2)30)24(33)29(19)20(25(34)35)21(12)36-15-9-17(23(32)27(3)4)28(11-15)10-14-7-5-6-8-16(14)22(26)31;2*1-13-6-8-16(9-7-13)11-27-12-17(10-18(27)23(30)26(4)5)34-22-14(2)20-19(15(3)29)24(31)28(20)21(22)25(32)33/h6-9,13-14,18-21,31H,10-12H2,1-5H3,(H,27,32)(H,35,36);6-9,13-14,17,19-21,31H,10-12H2,1-5H3,(H,27,32)(H,35,36);7-10,14-15,18-21,31H,11-13H2,1-6H3,(H,34,35);7-10,14-15,17,19-21,31H,11-13H2,1-6H3,(H,34,35);7-9,15-16,18-21,30H,10-12H2,1-6H3,(H,33,34);5-8,12-14,17-20,31H,9-11H2,1-4H3,(H,26,30)(H,34,35);5-8,12-13,16-19,30H,9-11H2,1-4H3,(H2,26,31)(H,34,35);5-8,12-13,15,17-19,30H,9-11H2,1-4H3,(H2,26,31)(H,34,35);2*6-9,14-15,17-20,29H,10-12H2,1-5H3,(H,32,33)/t13-,14-,18+,19+,20-,21-;13-,14-,17+,19+,20-,21-;14-,15-,18+,19+,20-,21-;14-,15-,17+,19+,20-,21-;15-,16-,18+,19+,20-,21-;13-,14-,17+,18+,19-,20-;12-,13-,16+,17+,18-,19-;12-,13-,15+,17+,18-,19-;2*14-,15-,17+,18+,19-,20-/m1111111111/s1
InChIKeyIDRJDEVFNLBKBU-BGGQKKOVSA-N
XLogP15.09
TPSA1193.86 Ų
H-Bond Donors25
H-Bond Acceptors67
Rotatable Bonds78
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005121.38
LogP ≤ 515.09
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1067

Analyze (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid) with MolForge

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Related Compounds

(4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[[2-(dimethylamino)phenyl]methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[[3-(dimethylamino)phenyl]methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)
CID 159432934
(4R,5S,6S)-3-[(3S,5S)-1-[(2-aminophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-aminophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(4-aminophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[[2-(methylamino)phenyl]methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[[3-(methylamino)phenyl]methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;tris((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid);(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(3-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 161358705
(4R,5S,6S)-3-[(3S,5S)-1-[(3-aminophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 58062730
(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 58062435
(4R,5S,6S)-3-[(3S,5S)-1-[(4-carbamoylphenyl)methyl]-5-[(3-formylphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 88559467
(4R,5S,6S)-3-[(3S,5S)-1-[(2,3-dimethylphenyl)methyl]-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 58062726
(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 58062794
(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 58062478
(4R,5S,6S)-3-[(3S,5S)-1-[(2-fluorophenyl)methyl]-5-[(3-formylphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 88559570
(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(2,4,5-trichlorophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(2,4,6-trichlorophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(3,4,5-trichlorophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 162092682
(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 58062776
3-[1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 90816589

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)?
The IUPAC name of (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid) (CID 158668703) is (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid).
What is the SMILES notation for (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)?
The canonical SMILES for (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid) is CC(=O)Nc1cccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)c1.CC(=O)Nc1ccccc1CN1C[C@@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[C@H]1C(=O)N(C)C.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccc(NC=O)cc4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4cccc(C(N)=O)c4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4cccc(N(C)C)c4)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccccc4C(N)=O)C3)[C@H](C)[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](C(=O)N(C)C)N(Cc4ccccc4N(C)C)C3)[C@H](C)[C@H]12.Cc1ccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)cc1.Cc1ccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)cc1.Cc1cccc(CN2C[C@@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C[C@H]2C(=O)N(C)C)c1C.
What is the InChIKey of (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)?
The InChIKey is IDRJDEVFNLBKBU-BGGQKKOVSA-N. The full InChI is InChI=1S/2C26H34N4O6S.2C26H36N4O5S.C26H35N3O5S.3C25H32N4O6S.2C25H33N3O5S/c1-13-21-20(14(2)31)25(34)30(21)22(26(35)36)23(13)37-18-10-19(24(33)28(4)5)29(12-18)11-16-7-6-8-17(9-16)27-15(3)32;1-13-21-20(14(2)31)25(34)30(21)22(26(35)36)23(13)37-17-10-19(24(33)28(4)5)29(12-17)11-16-8-6-7-9-18(16)27-15(3)32;1-14-21-20(15(2)31)25(33)30(21)22(26(34)35)23(14)36-18-11-19(24(32)28(5)6)29(13-18)12-16-8-7-9-17(10-16)27(3)4;1-14-21-20(15(2)31)25(33)30(21)22(26(34)35)23(14)36-17-11-19(24(32)28(5)6)29(13-17)12-16-9-7-8-10-18(16)27(3)4;1-13-8-7-9-17(14(13)2)11-28-12-18(10-19(28)24(31)27(5)6)35-23-15(3)21-20(16(4)30)25(32)29(21)22(23)26(33)34;1-13-20-19(14(2)31)24(33)29(20)21(25(34)35)22(13)36-17-9-18(23(32)27(3)4)28(11-17)10-15-5-7-16(8-6-15)26-12-30;1-12-19-18(13(2)30)24(33)29(19)20(25(34)35)21(12)36-16-9-17(23(32)27(3)4)28(11-16)10-14-6-5-7-15(8-14)22(26)31;1-12-19-18(13(2)30)24(33)29(19)20(25(34)35)21(12)36-15-9-17(23(32)27(3)4)28(11-15)10-14-7-5-6-8-16(14)22(26)31;2*1-13-6-8-16(9-7-13)11-27-12-17(10-18(27)23(30)26(4)5)34-22-14(2)20-19(15(3)29)24(31)28(20)21(22)25(32)33/h6-9,13-14,18-21,31H,10-12H2,1-5H3,(H,27,32)(H,35,36);6-9,13-14,17,19-21,31H,10-12H2,1-5H3,(H,27,32)(H,35,36);7-10,14-15,18-21,31H,11-13H2,1-6H3,(H,34,35);7-10,14-15,17,19-21,31H,11-13H2,1-6H3,(H,34,35);7-9,15-16,18-21,30H,10-12H2,1-6H3,(H,33,34);5-8,12-14,17-20,31H,9-11H2,1-4H3,(H,26,30)(H,34,35);5-8,12-13,16-19,30H,9-11H2,1-4H3,(H2,26,31)(H,34,35);5-8,12-13,15,17-19,30H,9-11H2,1-4H3,(H2,26,31)(H,34,35);2*6-9,14-15,17-20,29H,10-12H2,1-5H3,(H,32,33)/t13-,14-,18+,19+,20-,21-;13-,14-,17+,19+,20-,21-;14-,15-,18+,19+,20-,21-;14-,15-,17+,19+,20-,21-;15-,16-,18+,19+,20-,21-;13-,14-,17+,18+,19-,20-;12-,13-,16+,17+,18-,19-;12-,13-,15+,17+,18-,19-;2*14-,15-,17+,18+,19-,20-/m1111111111/s1.
What are the key properties of (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)?
(4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid) has a molecular weight of 5121.38 g/mol, XLogP of 15.09, 78 rotatable bonds, 25 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-3-[(3S,5S)-1-[(2-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-acetamidophenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(2-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[(3-carbamoylphenyl)methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[2-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-1-[[3-(dimethylamino)phenyl]methyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-formamidophenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;bis((4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid) is sourced from PubChem (CID 158668703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).