3,3-dimethyl-6-[[2-[[4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-2-phenyl-ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-[[2-[[4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-2-phenyl-ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[[2-[benzyloxycarbonyl(methyl)amino]-4-methyl-pentanoyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-6-[[2-[[4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]-1-oxopentyl]amino]-1-oxo-2-phenylethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[[2-[[4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-[[2-[carbobenzoxy(methyl)amino]-4-methyl-pentanoyl]amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C31H38N4O7S MolecularWeight: 610.72102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O)N(C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)NC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O)N(C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O7S/c1-18(2)16-21(34(5)30(41)42-17-19-12-8-6-9-13-19)25(36)32-22(20-14-10-7-11-15-20)26(37)33-23-27(38)35-24(29(39)40)31(3,4)43-28(23)35/h6-15,18,21-24,28H,16-17H2,1-5H3,(H,32,36)(H,33,37)(H,39,40)