(2S,5R,6R)-6-[[2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (2S,5R,6R)-6-[[2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (2S,5R,6R)-6-[[2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6R)-6-[[2-[[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: (2S,5R,6R)-6-[[2-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6R)-6-[[2-[(4-carbomethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C25H27N4O7S- MolecularWeight: 527.56948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-]

InChI

InChI=1S/C25H28N4O7S/c1-11-14(24(35)36-5)12(2)26-15(11)19(30)27-16(13-9-7-6-8-10-13)20(31)28-17-21(32)29-18(23(33)34)25(3,4)37-22(17)29/h6-10,16-18,22,26H,1-5H3,(H,27,30)(H,28,31)(H,33,34)/p-1/t16?,17-,18+,22-/m1/s1