3-cyclohexyl-3-[(1-ethanoylindol-3-yl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[(1-ethanoylindol-3-yl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Openeye Name: 3-[(1-acetylindol-3-yl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[(1-acetyl-3-indolyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[(1-acetylindol-3-yl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[(1-acetylindol-3-yl)methyl-[4-(phosphonomethyl)benzyl]amino]-3-cyclohexyl-propionic acid Formula: C28H35N2O6P MolecularWeight: 526.561061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)CN(CC3=CC=C(C=C3)CP(=O)(O)O)C(CC(=O)O)C4CCCCC4

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)CN(CC3=CC=C(C=C3)CP(=O)(O)O)C(CC(=O)O)C4CCCCC4

InChI

InChI=1S/C28H35N2O6P/c1-20(31)30-18-24(25-9-5-6-10-26(25)30)17-29(27(15-28(32)33)23-7-3-2-4-8-23)16-21-11-13-22(14-12-21)19-37(34,35)36/h5-6,9-14,18,23,27H,2-4,7-8,15-17,19H2,1H3,(H,32,33)(H2,34,35,36)