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

Systemtic Name: 4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-[5-(pyridin-3-ylmethyl)-1,2,3,4-tetrazol-1-yl]pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-oxo-5-[5-(3-pyridylmethyl)tetrazol-1-yl]pentanoic acid CAS Name: 4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(3-pyridinylmethyl)-1-tetrazolyl]pentanoic acid IUPAC Name: 4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-keto-5-[5-(3-pyridylmethyl)tetrazol-1-yl]valeric acid Formula: C20H20N6O5 MolecularWeight: 424.41

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)CN2C(=NN=N2)CC3=CN=CC=C3

InChI

InChI=1S/C20H20N6O5/c27-17(12-26-18(23-24-25-26)9-15-7-4-8-21-11-15)16(10-19(28)29)22-20(30)31-13-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H,22,30)(H,28,29)