2-[2-(phenylmethoxycarbonylamino)ethylamino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[2-(phenylmethoxycarbonylamino)ethylamino]-4-sulfanyl-butanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)ethylamino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[2-(phenylmethoxycarbonylamino)ethylamino]butanoic acid IUPAC Name: 2-[2-(phenylmethoxycarbonylamino)ethylamino]-4-sulfanylbutanoic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)ethylamino]-4-mercapto-butyric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c17-13(18)12(6-9-21)15-7-8-16-14(19)20-10-11-4-2-1-3-5-11/h1-5,12,15,21H,6-10H2,(H,16,19)(H,17,18)