5-azanyl-2-(phenylmethoxycarbonylamino)-5-sulfanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-(phenylmethoxycarbonylamino)-5-sulfanylidene-pentanoic acid Openeye Name: 5-amino-2-(benzyloxycarbonylamino)-5-thioxo-pentanoic acid CAS Name: 5-amino-2-(phenylmethoxycarbonylamino)-5-sulfanylidenepentanoic acid IUPAC Name: 5-amino-2-(phenylmethoxycarbonylamino)-5-sulfanylidenepentanoic acid Traditional Name: 5-amino-2-(benzyloxycarbonylamino)-5-thioxo-valeric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=S)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC(=S)N)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c14-11(20)7-6-10(12(16)17)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,20)(H,15,18)(H,16,17)