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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(CC2=CC=CC=C2O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C(C(CC2=CC=CC=C2O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

InChI

InChI=1S/C27H32N2O5/c30-24-13-7-4-10-18(24)14-21(25(31)17-8-2-1-3-9-17)26(32)29-23(27(33)34)15-19-16-28-22-12-6-5-11-20(19)22/h4-7,10-13,16-17,21,23,25,28,30-31H,1-3,8-9,14-15H2,(H,29,32)(H,33,34)