4-methylsulfanyl-2-[[4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanoyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]butanoyl]amino]butanoic acid Openeye Name: 2-[[2-(benzylsulfonylamino)-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[4-(methylthio)-1-oxo-2-[(phenylmethyl)sulfonylamino]butyl]amino]butanoic acid IUPAC Name: 2-[[2-(benzylsulfonylamino)-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(benzylsulfonylamino)-4-(methylthio)butanoyl]amino]-4-(methylthio)butyric acid Formula: C17H26N2O5S3 MolecularWeight: 434.59374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5S3/c1-25-10-8-14(16(20)18-15(17(21)22)9-11-26-2)19-27(23,24)12-13-6-4-3-5-7-13/h3-7,14-15,19H,8-12H2,1-2H3,(H,18,20)(H,21,22)