5-(5-imidazol-2-ylidene-1H-1,2,3,4-tetrazol-2-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(5-imidazol-2-ylidene-1H-1,2,3,4-tetrazol-2-yl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-(5-imidazol-2-ylidene-1H-tetrazol-2-yl)-4-oxo-pentanoic acid CAS Name: 5-[5-(2-imidazolylidene)-1H-tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(5-imidazol-2-ylidene-1H-tetrazol-2-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-(5-imidazol-2-ylidene-1H-tetrazol-2-yl)-4-keto-valeric acid Formula: C17H17N7O5 MolecularWeight: 399.36078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2NC(=C3N=CC=N3)N=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2NC(=C3N=CC=N3)N=N2

InChI

InChI=1S/C17H17N7O5/c25-13(9-24-22-16(21-23-24)15-18-6-7-19-15)12(8-14(26)27)20-17(28)29-10-11-4-2-1-3-5-11/h1-7,12,22H,8-10H2,(H,20,28)(H,26,27)