(4R,6S)-4-methyl-3-[(3S,5S)-5-[[3-(methylamino)-3-oxidanylidene-propyl]sulfanylmethyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,6S)-4-methyl-3-[(3S,5S)-5-[[3-(methylamino)-3-oxidanylidene-propyl]sulfanylmethyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-5-[[3-(methylamino)-3-oxo-propyl]sulfanylmethyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[(3S,5S)-5-[[[3-(methylamino)-3-oxopropyl]thio]methyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-5-[[3-(methylamino)-3-oxopropyl]sulfanylmethyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[[(3S,5S)-5-[[[3-keto-3-(methylamino)propyl]thio]methyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thio]-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C27H34N4O9S2 MolecularWeight: 622.71026

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CSCCC(=O)NC)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1C2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CSCCC(=O)NC)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C27H34N4O9S2/c1-14-22-21(15(2)32)25(34)30(22)23(26(35)36)24(14)42-19-10-18(13-41-9-8-20(33)28-3)29(11-19)27(37)40-12-16-4-6-17(7-5-16)31(38)39/h4-7,14-15,18-19,21-22,32H,8-13H2,1-3H3,(H,28,33)(H,35,36)/t14-,15-,18+,19+,21-,22?/m1/s1