(4-nitrophenyl)methyl (6R,7R)-3-chloranyl-7-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6R,7R)-3-chloranyl-7-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6R,7R)-7-[[(2R)-2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: (6R,7R)-3-chloro-7-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6R,7R)-3-chloro-7-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2R)-2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C27H27ClN4O8S MolecularWeight: 603.04328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(=CS3)Cl)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27ClN4O8S/c1-27(2,3)40-26(36)30-19(16-7-5-4-6-8-16)22(33)29-20-23(34)31-21(18(28)14-41-24(20)31)25(35)39-13-15-9-11-17(12-10-15)32(37)38/h4-12,14,19-21,24H,13H2,1-3H3,(H,29,33)(H,30,36)/t19-,20-,21?,24-/m1/s1