2-[ethyl(phenylmethoxycarbonylamino)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[ethyl(phenylmethoxycarbonylamino)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[benzyloxycarbonylamino(ethyl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[ethyl(phenylmethoxycarbonylamino)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[ethyl(phenylmethoxycarbonylamino)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[benzyloxycarbonylamino(ethyl)amino]-3-mercapto-propionic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CS)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCN(C(CS)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O4S/c1-2-15(11(9-20)12(16)17)14-13(18)19-8-10-6-4-3-5-7-10/h3-7,11,20H,2,8-9H2,1H3,(H,14,18)(H,16,17)