6-[[2-[2-[[1-azanyl-2-(phenylmethoxycarbonylamino)ethylidene]amino]ethanoylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-[2-[[1-azanyl-2-(phenylmethoxycarbonylamino)ethylidene]amino]ethanoylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[[2-[[1-amino-2-(benzyloxycarbonylamino)ethylidene]amino]acetyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-[[2-[[1-amino-2-(phenylmethoxycarbonylamino)ethylidene]amino]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-[[2-[[1-amino-2-(phenylmethoxycarbonylamino)ethylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-[[2-[[1-amino-2-(benzyloxycarbonylamino)ethylidene]amino]acetyl]amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C28H32N6O7S MolecularWeight: 596.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)CN=C(CNC(=O)OCC4=CC=CC=C4)N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)CN=C(CNC(=O)OCC4=CC=CC=C4)N)C(=O)O)C

InChI

InChI=1S/C28H32N6O7S/c1-28(2)22(26(38)39)34-24(37)21(25(34)42-28)33-23(36)20(17-11-7-4-8-12-17)32-19(35)14-30-18(29)13-31-27(40)41-15-16-9-5-3-6-10-16/h3-12,20-22,25H,13-15H2,1-2H3,(H2,29,30)(H,31,40)(H,32,35)(H,33,36)(H,38,39)