dimethyl 2-[[2-(butanoylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]pentanedioate

Systemtic Name: dimethyl 2-[[2-(butanoylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]pentanedioate Openeye Name: dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate CAS Name: 2-[[1-oxo-2-(1-oxobutylamino)-3-(phenylmethylthio)propyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate Traditional Name: 2-[[3-(benzylthio)-2-butyramido-propanoyl]amino]glutaric acid dimethyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C21H30N2O6S/c1-4-8-18(24)22-17(14-30-13-15-9-6-5-7-10-15)20(26)23-16(21(27)29-3)11-12-19(25)28-2/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3,(H,22,24)(H,23,26)