2-[[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-phenyl-indol-6-yl]carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-phenyl-indol-6-yl]carbonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[3-cyclohexyl-1-(2-morpholino-2-oxo-ethyl)-2-phenyl-indole-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[[3-cyclohexyl-1-[2-(4-morpholinyl)-2-oxoethyl]-2-phenyl-6-indolyl]-oxomethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[3-cyclohexyl-1-(2-keto-2-morpholino-ethyl)-2-phenyl-indole-6-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C38H40N4O6 MolecularWeight: 648.7474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O)CC(=O)N6CCOCC6)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O)CC(=O)N6CCOCC6)C7=CC=CC=C7

InChI

InChI=1S/C38H40N4O6/c43-28-12-14-31-30(21-28)27(22-39-31)19-32(38(46)47)40-37(45)26-11-13-29-33(20-26)42(23-34(44)41-15-17-48-18-16-41)36(25-9-5-2-6-10-25)35(29)24-7-3-1-4-8-24/h2,5-6,9-14,20-22,24,32,39,43H,1,3-4,7-8,15-19,23H2,(H,40,45)(H,46,47)