2-[[3-cyclohexyl-2-(2-hydroxyphenyl)-3-oxidanyl-propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid

Systemtic Name: 2-[[3-cyclohexyl-2-(2-hydroxyphenyl)-3-oxidanyl-propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid Openeye Name: 2-[[3-cyclohexyl-3-hydroxy-2-(2-hydroxyphenyl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid CAS Name: 2-[[3-cyclohexyl-3-hydroxy-2-(2-hydroxyphenyl)-1-oxopropyl]amino]-3-(1-methyl-3-indolyl)propanoic acid IUPAC Name: 2-[[3-cyclohexyl-3-hydroxy-2-(2-hydroxyphenyl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid Traditional Name: 2-[[3-cyclohexyl-3-hydroxy-2-(2-hydroxyphenyl)propanoyl]amino]-3-(1-methylindol-3-yl)propionic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)C(C3=CC=CC=C3O)C(C4CCCCC4)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)C(C3=CC=CC=C3O)C(C4CCCCC4)O

InChI

InChI=1S/C27H32N2O5/c1-29-16-18(19-11-5-7-13-22(19)29)15-21(27(33)34)28-26(32)24(20-12-6-8-14-23(20)30)25(31)17-9-3-2-4-10-17/h5-8,11-14,16-17,21,24-25,30-31H,2-4,9-10,15H2,1H3,(H,28,32)(H,33,34)