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

Systemtic Name: 3-[[3-(cyclohexylcarbonylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclohexyl(oxo)methyl]amino]-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H40N6O6 MolecularWeight: 592.6859

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C31H40N6O6/c38-28(39)20-25(24-7-4-10-32-21-24)33-30(41)23-8-9-27(26(19-23)34-29(40)22-5-2-1-3-6-22)35-11-13-36(14-12-35)31(42)37-15-17-43-18-16-37/h4,7-10,19,21-22,25H,1-3,5-6,11-18,20H2,(H,33,41)(H,34,40)(H,38,39)