(phenylmethyl) 2-[[3-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[3-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl 2-[[3-acetylsulfanyl-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[3-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-acetylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[3-(acetylthio)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H30N2O6S/c1-17(2)22(24(30)32-14-19-10-6-4-7-11-19)27-23(29)21(16-34-18(3)28)26-25(31)33-15-20-12-8-5-9-13-20/h4-13,17,21-22H,14-16H2,1-3H3,(H,26,31)(H,27,29)