4-oxidanylidene-3-[2-[2-oxidanylidene-3-(pyridin-2-ylcarbonylamino)azepan-1-yl]propanoylamino]-5-[5-(phenylmethyl)-1,2,3,4-tetrazol-1-yl]pentanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-3-(pyridin-2-ylcarbonylamino)azepan-1-yl]propanoylamino]-5-[5-(phenylmethyl)-1,2,3,4-tetrazol-1-yl]pentanoic acid Openeye Name: 5-(5-benzyltetrazol-1-yl)-4-oxo-3-[2-[2-oxo-3-(pyridine-2-carbonylamino)azepan-1-yl]propanoylamino]pentanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-3-[[oxo(2-pyridinyl)methyl]amino]-1-azepanyl]propyl]amino]-5-[5-(phenylmethyl)-1-tetrazolyl]pentanoic acid IUPAC Name: 5-(5-benzyltetrazol-1-yl)-4-oxo-3-[2-[2-oxo-3-(pyridine-2-carbonylamino)azepan-1-yl]propanoylamino]pentanoic acid Traditional Name: 5-(5-benzyltetrazol-1-yl)-4-keto-3-[2-(2-keto-3-picolinamido-azepan-1-yl)propanoylamino]valeric acid Formula: C28H32N8O6 MolecularWeight: 576.60368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)CN1C(=NN=N1)CC2=CC=CC=C2)N3CCCCC(C3=O)NC(=O)C4=CC=CC=N4

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C(=O)CN1C(=NN=N1)CC2=CC=CC=C2)N3CCCCC(C3=O)NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C28H32N8O6/c1-18(35-14-8-6-12-21(28(35)42)30-27(41)20-11-5-7-13-29-20)26(40)31-22(16-25(38)39)23(37)17-36-24(32-33-34-36)15-19-9-3-2-4-10-19/h2-5,7,9-11,13,18,21-22H,6,8,12,14-17H2,1H3,(H,30,41)(H,31,40)(H,38,39)