methyl 2-[[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[4-amino-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[4-amino-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O6S/c1-31-22(29)19(15-33-14-17-10-6-3-7-11-17)25-21(28)18(12-20(24)27)26-23(30)32-13-16-8-4-2-5-9-16/h2-11,18-19H,12-15H2,1H3,(H2,24,27)(H,25,28)(H,26,30)