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

Systemtic Name: 6-[[2-(4-hydroxyphenyl)-2-[[4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]ethanoyl]amino]-3,3-dimethyl-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-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(4-hydroxyphenyl)-2-[[4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-(4-hydroxyphenyl)-2-[[4-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]acetyl]amino]-3,3-dimethyl-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-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C31H38N4O8S MolecularWeight: 626.72042

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H38N4O8S/c1-17(2)15-21(34(5)30(42)43-16-18-9-7-6-8-10-18)25(37)32-22(19-11-13-20(36)14-12-19)26(38)33-23-27(39)35-24(29(40)41)31(3,4)44-28(23)35/h6-14,17,21-24,28,36H,15-16H2,1-5H3,(H,32,37)(H,33,38)(H,40,41)