6-(1-hydroxyethyl)-4-methyl-3-[5-[[5-(methylcarbamoyl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]methyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-[[5-(methylcarbamoyl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]methyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[1-allyloxycarbonyl-5-[[1-allyloxycarbonyl-5-(methylcarbamoyl)pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[[5-[[5-(methylcarbamoyl)-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-[[5-(methylcarbamoyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]methyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[1-allyloxycarbonyl-5-[[1-allyloxycarbonyl-5-(methylcarbamoyl)pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C29H40N4O9S MolecularWeight: 620.7143

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)CC4CC(N(C4)C(=O)OCC=C)C(=O)NC)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)CC4CC(N(C4)C(=O)OCC=C)C(=O)NC)C(=O)O)C(C)O

InChI

InChI=1S/C29H40N4O9S/c1-6-8-41-28(39)31-14-19(43-24-15(3)22-21(16(4)34)26(36)33(22)23(24)27(37)38)12-18(31)10-17-11-20(25(35)30-5)32(13-17)29(40)42-9-7-2/h6-7,15-22,34H,1-2,8-14H2,3-5H3,(H,30,35)(H,37,38)