(2R)-2-[2-(3-oxidanylidene-1H-isoindol-2-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-[2-(3-oxidanylidene-1H-isoindol-2-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(1-oxoisoindolin-2-yl)acetyl]amino]propanoic acid CAS Name: (2R)-2-[[1-oxo-2-(3-oxo-1H-isoindol-2-yl)ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid Traditional Name: (2R)-3-(benzylthio)-2-[[2-(1-ketoisoindolin-2-yl)acetyl]amino]propionic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1CC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H20N2O4S/c23-18(11-22-10-15-8-4-5-9-16(15)19(22)24)21-17(20(25)26)13-27-12-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,21,23)(H,25,26)/t17-/m0/s1