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

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(3-methylphenyl)carbamoylamino]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(m-tolylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[(3-methylanilino)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(3-methylphenyl)carbamoylamino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-(m-tolylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H34N6O5 MolecularWeight: 570.63886

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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)C5CC5

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)C5CC5

InChI

InChI=1S/C31H34N6O5/c1-20-4-2-6-24(16-20)33-31(42)35-26-17-22(29(40)34-25(18-28(38)39)23-5-3-11-32-19-23)9-10-27(26)36-12-14-37(15-13-36)30(41)21-7-8-21/h2-6,9-11,16-17,19,21,25H,7-8,12-15,18H2,1H3,(H,34,40)(H,38,39)(H2,33,35,42)