3-[[3-[(3-methylphenyl)carbamoylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-[(3-methylphenyl)carbamoylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(m-tolylcarbamoylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[(3-methylanilino)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(3-methylphenyl)carbamoylamino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(m-tolylcarbamoylamino)-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C33H33N7O5 MolecularWeight: 607.65902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C33H33N7O5/c1-22-5-2-8-26(17-22)36-33(45)38-28-18-23(31(43)37-27(19-30(41)42)24-6-3-11-34-20-24)9-10-29(28)39-13-15-40(16-14-39)32(44)25-7-4-12-35-21-25/h2-12,17-18,20-21,27H,13-16,19H2,1H3,(H,37,43)(H,41,42)(H2,36,38,45)