6-(1-hydroxyethyl)-3-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(5-prop-2-enoxycarbonylthiophen-3-yl)carbamoyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-3-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(5-prop-2-enoxycarbonylthiophen-3-yl)carbamoyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[5-[(5-allyloxycarbonyl-3-thienyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[[1-[(4-nitrophenyl)methoxy-oxomethyl]-5-[oxo-[[5-[oxo(prop-2-enoxy)methyl]-3-thiophenyl]amino]methyl]-3-pyrrolidinyl]thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-3-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(5-prop-2-enoxycarbonylthiophen-3-yl)carbamoyl]pyrrolidin-3-yl]sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[5-[(5-allyloxycarbonyl-3-thienyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C29H28N4O11S3 MolecularWeight: 704.74782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC5=CSC(=C5)C(=O)OCC=C)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC5=CSC(=C5)C(=O)OCC=C)C(=O)O)O

InChI

InChI=1S/C29H28N4O11S3/c1-3-8-43-27(39)20-9-16(13-45-20)30-23(35)19-10-18(11-31(19)29(40)44-12-15-4-6-17(7-5-15)33(41)42)46-28-22(26(37)38)32-24(36)21(14(2)34)25(32)47-28/h3-7,9,13-14,18-19,21,25,34H,1,8,10-12H2,2H3,(H,30,35)(H,37,38)