ethyl 3-methyl-2-[[3-methyl-2-[(phenylmethylsulfanyl)carbonylamino]butanoyl]amino]butanoate

Systemtic Name: ethyl 3-methyl-2-[[3-methyl-2-[(phenylmethylsulfanyl)carbonylamino]butanoyl]amino]butanoate Openeye Name: ethyl 2-[[2-(benzylsulfanylcarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[3-methyl-1-oxo-2-[[oxo-(phenylmethylthio)methyl]amino]butyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzylsulfanylcarbonylamino)-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[(benzylthio)carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid ethyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C20H30N2O4S/c1-6-26-19(24)17(14(4)5)21-18(23)16(13(2)3)22-20(25)27-12-15-10-8-7-9-11-15/h7-11,13-14,16-17H,6,12H2,1-5H3,(H,21,23)(H,22,25)