4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-(methylthio)butyric acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H20N2O5S/c1-23-8-7-12(14(19)20)17-13(18)9-16-15(21)22-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)