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

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H34N6O6 MolecularWeight: 550.60616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C28H34N6O6/c35-25(36)17-22(21-2-1-7-29-18-21)30-27(38)20-5-6-24(23(16-20)31-26(37)19-3-4-19)32-8-10-33(11-9-32)28(39)34-12-14-40-15-13-34/h1-2,5-7,16,18-19,22H,3-4,8-15,17H2,(H,30,38)(H,31,37)(H,35,36)