2-(phenylmethoxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylthio)pentanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-(1H-1,2,4-triazol-5-ylthio)valeric acid Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCSC2=NC=NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCSC2=NC=NN2)C(=O)O

InChI

InChI=1S/C15H18N4O4S/c20-13(21)12(7-4-8-24-14-16-10-17-19-14)18-15(22)23-9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,18,22)(H,20,21)(H,16,17,19)