3-[[3-(2-phenylethanoylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(2-phenylethanoylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[(2-phenylacetyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[3-[(1-oxo-2-phenylethyl)amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(2-phenylacetyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C33H32N6O5 MolecularWeight: 592.64438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)CC4=CC=CC=C4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)CC4=CC=CC=C4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C33H32N6O5/c40-30(18-23-6-2-1-3-7-23)36-28-19-24(32(43)37-27(20-31(41)42)25-8-4-12-34-21-25)10-11-29(28)38-14-16-39(17-15-38)33(44)26-9-5-13-35-22-26/h1-13,19,21-22,27H,14-18,20H2,(H,36,40)(H,37,43)(H,41,42)