3-[[3-(phenylmethoxycarbonylamino)-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(phenylmethoxycarbonylamino)-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(benzyloxycarbonylamino)-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]-3-(phenylmethoxycarbonylamino)phenyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(phenylmethoxycarbonylamino)-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(benzyloxycarbonylamino)-4-(4-nicotinoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C34H34N6O6 MolecularWeight: 622.67036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H34N6O6/c41-31(42)20-28(26-9-4-13-35-21-26)37-32(43)25-11-12-30(29(19-25)38-34(45)46-23-24-7-2-1-3-8-24)39-15-6-16-40(18-17-39)33(44)27-10-5-14-36-22-27/h1-5,7-14,19,21-22,28H,6,15-18,20,23H2,(H,37,43)(H,38,45)(H,41,42)