2-[[3-cyclohexyl-2-(2-methoxyphenyl)-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C(C2CCCCC2)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C(C2CCCCC2)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

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