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

Systemtic Name: 2-[[3-cyclohexyl-2-(2-hydroxyphenyl)-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[3-cyclohexyl-3-hydroxy-2-(2-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-cyclohexyl-3-hydroxy-2-(2-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[3-cyclohexyl-3-hydroxy-2-(2-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[3-cyclohexyl-3-hydroxy-2-(2-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(C2=CC=CC=C2O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C(C(C2=CC=CC=C2O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

InChI

InChI=1S/C26H30N2O5/c29-22-13-7-5-11-19(22)23(24(30)16-8-2-1-3-9-16)25(31)28-21(26(32)33)14-17-15-27-20-12-6-4-10-18(17)20/h4-7,10-13,15-16,21,23-24,27,29-30H,1-3,8-9,14H2,(H,28,31)(H,32,33)