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

Systemtic Name: 2-[[3-cyclohexyl-2-[(2-methoxyphenyl)methyl]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[3-cyclohexyl-3-hydroxy-2-[(2-methoxyphenyl)methyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-cyclohexyl-3-hydroxy-2-[(2-methoxyphenyl)methyl]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[3-cyclohexyl-3-hydroxy-2-[(2-methoxyphenyl)methyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(3-cyclohexyl-3-hydroxy-2-o-anisyl-propanoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(C(C2CCCCC2)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1CC(C(C2CCCCC2)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C28H34N2O5/c1-35-25-14-8-5-11-19(25)15-22(26(31)18-9-3-2-4-10-18)27(32)30-24(28(33)34)16-20-17-29-23-13-7-6-12-21(20)23/h5-8,11-14,17-18,22,24,26,29,31H,2-4,9-10,15-16H2,1H3,(H,30,32)(H,33,34)