ethyl 4-methylsulfanyl-2-[[4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanoyl]amino]butanoate

Systemtic Name: ethyl 4-methylsulfanyl-2-[[4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanoyl]amino]butanoate Openeye Name: ethyl 2-[[2-(benzylsulfonylamino)-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[4-(methylthio)-1-oxo-2-[(phenylmethyl)sulfonylamino]butyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzylsulfonylamino)-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(benzylsulfonylamino)-4-(methylthio)butanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C19H30N2O5S3 MolecularWeight: 462.6469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CCSC)NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C(CCSC)NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C19H30N2O5S3/c1-4-26-19(23)17(11-13-28-3)20-18(22)16(10-12-27-2)21-29(24,25)14-15-8-6-5-7-9-15/h5-9,16-17,21H,4,10-14H2,1-3H3,(H,20,22)