3-[[3-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]amino]-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(5-tert-butyl-2-methylpyrazole-3-carbonyl)amino]-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H39N7O5 MolecularWeight: 601.69596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5CC5)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5CC5)C

InChI

InChI=1S/C32H39N7O5/c1-32(2,3)27-18-26(37(4)36-27)30(43)35-24-16-21(29(42)34-23(17-28(40)41)22-6-5-11-33-19-22)9-10-25(24)38-12-14-39(15-13-38)31(44)20-7-8-20/h5-6,9-11,16,18-20,23H,7-8,12-15,17H2,1-4H3,(H,34,42)(H,35,43)(H,40,41)