(2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-anilino-2-oxo-ethyl) (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (2-anilino-2-keto-ethyl) ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-28-12-11-17(23-19(25)14-7-9-15(21)10-8-14)20(26)27-13-18(24)22-16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1