2-(phenylmethoxycarbonylamino)-3-(2H-1,2,3-triazol-4-ylsulfanyl)propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-(2H-1,2,3-triazol-4-ylsulfanyl)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(2H-triazol-4-ylsulfanyl)propanoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-3-(2H-triazol-4-ylthio)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-(2H-triazol-4-ylsulfanyl)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(2H-triazol-4-ylthio)propionic acid Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC2=NNN=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC2=NNN=C2)C(=O)O

InChI

InChI=1S/C13H14N4O4S/c18-12(19)10(8-22-11-6-14-17-16-11)15-13(20)21-7-9-4-2-1-3-5-9/h1-6,10H,7-8H2,(H,15,20)(H,18,19)(H,14,16,17)