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

Systemtic Name: 3-[[3-(ethylcarbamoylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(ethylcarbamoylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-(ethylcarbamoylamino)-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(ethylcarbamoylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(ethylcarbamoylamino)-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H31N7O5 MolecularWeight: 545.58964

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=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

CCNC(=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/C28H31N7O5/c1-2-31-28(40)33-23-15-19(26(38)32-22(16-25(36)37)20-5-3-9-29-17-20)7-8-24(23)34-11-13-35(14-12-34)27(39)21-6-4-10-30-18-21/h3-10,15,17-18,22H,2,11-14,16H2,1H3,(H,32,38)(H,36,37)(H2,31,33,40)