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

Systemtic Name: 3-[5-[[5-(dimethylcarbamoyl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]methyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[1-allyloxycarbonyl-5-[[1-allyloxycarbonyl-5-(dimethylcarbamoyl)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: 3-[[5-[[5-[dimethylamino(oxo)methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[5-[[5-(dimethylcarbamoyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]methyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[1-allyloxycarbonyl-5-[[1-allyloxycarbonyl-5-(dimethylcarbamoyl)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: C30H42N4O9S MolecularWeight: 634.74088

Click to see the large picture

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)N(C)C)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)N(C)C)C(=O)O)C(C)O

InChI

InChI=1S/C30H42N4O9S/c1-7-9-42-29(40)32-15-20(44-25-16(3)23-22(17(4)35)27(37)34(23)24(25)28(38)39)13-19(32)11-18-12-21(26(36)31(5)6)33(14-18)30(41)43-10-8-2/h7-8,16-23,35H,1-2,9-15H2,3-6H3,(H,38,39)