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

Systemtic Name: dimethyl 2-[[3-(phenylmethylsulfanyl)-2-(propanoylamino)propanoyl]amino]pentanedioate Openeye Name: dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate CAS Name: 2-[[1-oxo-2-(1-oxopropylamino)-3-(phenylmethylthio)propyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate Traditional Name: 2-[[3-(benzylthio)-2-propionamido-propanoyl]amino]glutaric acid dimethyl ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6S/c1-4-17(23)21-16(13-29-12-14-8-6-5-7-9-14)19(25)22-15(20(26)28-3)10-11-18(24)27-2/h5-9,15-16H,4,10-13H2,1-3H3,(H,21,23)(H,22,25)