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

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(3-methylphenyl)carbamoylamino]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(m-tolylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-[[(3-methylanilino)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(3-methylphenyl)carbamoylamino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(m-tolylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H32N6O6 MolecularWeight: 560.60098

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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)OC

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)OC

InChI

InChI=1S/C29H32N6O6/c1-19-5-3-7-22(15-19)31-28(39)33-24-16-20(8-9-25(24)34-11-13-35(14-12-34)29(40)41-2)27(38)32-23(17-26(36)37)21-6-4-10-30-18-21/h3-10,15-16,18,23H,11-14,17H2,1-2H3,(H,32,38)(H,36,37)(H2,31,33,39)