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

Systemtic Name: 3-[[3-(propylcarbamoylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(propylcarbamoylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[3-[[oxo(propylamino)methyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(propylcarbamoylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-(propylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H33N7O5 MolecularWeight: 559.61622

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CCCNC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H33N7O5/c1-2-9-32-29(41)34-24-16-20(27(39)33-23(17-26(37)38)21-5-3-10-30-18-21)7-8-25(24)35-12-14-36(15-13-35)28(40)22-6-4-11-31-19-22/h3-8,10-11,16,18-19,23H,2,9,12-15,17H2,1H3,(H,33,39)(H,37,38)(H2,32,34,41)