2-[2-(phenylmethoxycarbonylamino)ethylamino]-3-sulfanyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCNC(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCNC(CS)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c16-12(17)11(9-20)14-6-7-15-13(18)19-8-10-4-2-1-3-5-10/h1-5,11,14,20H,6-9H2,(H,15,18)(H,16,17)