(3S)-4-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-N-(2-sulfanylphenyl)pentanimidate

Systemtic Name: (3S)-4-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-N-(2-sulfanylphenyl)pentanimidate Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-oxo-5-phenyl-N-(2-sulfanylphenyl)pentanimidate CAS Name: (3S)-N-(2-mercaptophenyl)-4-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)pentanimidate IUPAC Name: (3S)-4-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-N-(2-sulfanylphenyl)pentanimidate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-keto-N-(2-mercaptophenyl)-5-phenyl-valerimidate Formula: C25H23N2O4S- MolecularWeight: 447.52612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(CC(=NC2=CC=CC=C2S)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)[C@H](CC(=NC2=CC=CC=C2S)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4S/c28-22(15-18-9-3-1-4-10-18)21(16-24(29)26-20-13-7-8-14-23(20)32)27-25(30)31-17-19-11-5-2-6-12-19/h1-14,21,32H,15-17H2,(H,26,29)(H,27,30)/p-1/t21-/m0/s1