3-[[3-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]-4-(4-methoxycarbonylpiperazin-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-methoxycarbonylpiperazin-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-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(5-tert-butyl-2-methylpyrazole-3-carbonyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]-4-(4-carbomethoxypiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C30H37N7O6 MolecularWeight: 591.65808

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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)OC)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)OC)C

InChI

InChI=1S/C30H37N7O6/c1-30(2,3)25-17-24(35(4)34-25)28(41)33-22-15-19(8-9-23(22)36-11-13-37(14-12-36)29(42)43-5)27(40)32-21(16-26(38)39)20-7-6-10-31-18-20/h6-10,15,17-18,21H,11-14,16H2,1-5H3,(H,32,40)(H,33,41)(H,38,39)