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

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(cyclopropanecarbonylamino)-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H30N6O5 MolecularWeight: 542.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=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

C1CC1C(=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/C29H30N6O5/c36-26(37)16-23(21-3-1-9-30-17-21)32-28(39)20-7-8-25(24(15-20)33-27(38)19-5-6-19)34-11-13-35(14-12-34)29(40)22-4-2-10-31-18-22/h1-4,7-10,15,17-19,23H,5-6,11-14,16H2,(H,32,39)(H,33,38)(H,36,37)