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

Systemtic Name: 3-[[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-(propylcarbamoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(propylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-[[oxo(propylamino)methyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(propylcarbamoylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazino]-3-(propylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H37N7O6 MolecularWeight: 567.63668

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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)N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C28H37N7O6/c1-2-7-30-27(39)32-23-17-20(26(38)31-22(18-25(36)37)21-4-3-8-29-19-21)5-6-24(23)33-9-11-34(12-10-33)28(40)35-13-15-41-16-14-35/h3-6,8,17,19,22H,2,7,9-16,18H2,1H3,(H,31,38)(H,36,37)(H2,30,32,39)