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

Systemtic Name: 2-[phenylmethoxycarbonylamino(propyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[benzyloxycarbonylamino(propyl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[phenylmethoxycarbonylamino(propyl)amino]propanoic acid IUPAC Name: 2-[phenylmethoxycarbonylamino(propyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[benzyloxycarbonylamino(propyl)amino]-3-mercapto-propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-2-8-16(12(10-21)13(17)18)15-14(19)20-9-11-6-4-3-5-7-11/h3-7,12,21H,2,8-10H2,1H3,(H,15,19)(H,17,18)