4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-[5-(1,3-thiazol-2-ylsulfanyl)-1,2,3,4-tetrazol-2-yl]pentanoic acid

Systemtic Name: 4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-[5-(1,3-thiazol-2-ylsulfanyl)-1,2,3,4-tetrazol-2-yl]pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-oxo-5-(5-thiazol-2-ylsulfanyltetrazol-2-yl)pentanoic acid CAS Name: 4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(2-thiazolylthio)-2-tetrazolyl]pentanoic acid IUPAC Name: 4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(1,3-thiazol-2-ylsulfanyl)tetrazol-2-yl]pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-keto-5-[5-(thiazol-2-ylthio)tetrazol-2-yl]valeric acid Formula: C17H16N6O5S2 MolecularWeight: 448.47614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)SC3=NC=CS3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2N=C(N=N2)SC3=NC=CS3

InChI

InChI=1S/C17H16N6O5S2/c24-13(9-23-21-15(20-22-23)30-17-18-6-7-29-17)12(8-14(25)26)19-16(27)28-10-11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H,19,27)(H,25,26)