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

Systemtic Name: 3-[[3-(ethylcarbamoylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(ethylcarbamoylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-(ethylcarbamoylamino)-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(ethylcarbamoylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(ethylcarbamoylamino)-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C27H35N7O6 MolecularWeight: 553.6101

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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)N4CCOCC4

Isomeric SMILES

CCNC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C27H35N7O6/c1-2-29-26(38)31-22-16-19(25(37)30-21(17-24(35)36)20-4-3-7-28-18-20)5-6-23(22)32-8-10-33(11-9-32)27(39)34-12-14-40-15-13-34/h3-7,16,18,21H,2,8-15,17H2,1H3,(H,30,37)(H,35,36)(H2,29,31,38)