4-[3-[[7-methyl-5-[(2-naphthalen-1-yl-2-oxidanyl-ethanoyl)amino]-4-oxidanyl-2-propan-2-yl-octanoyl]amino]propyl]benzoic acid

Systemtic Name: 4-[3-[[7-methyl-5-[(2-naphthalen-1-yl-2-oxidanyl-ethanoyl)amino]-4-oxidanyl-2-propan-2-yl-octanoyl]amino]propyl]benzoic acid Openeye Name: 4-[3-[[4-hydroxy-5-[[2-hydroxy-2-(1-naphthyl)acetyl]amino]-2-isopropyl-7-methyl-octanoyl]amino]propyl]benzoic acid CAS Name: 4-[3-[[4-hydroxy-5-[[2-hydroxy-2-(1-naphthalenyl)-1-oxoethyl]amino]-7-methyl-1-oxo-2-propan-2-yloctyl]amino]propyl]benzoic acid IUPAC Name: 4-[3-[[4-hydroxy-5-[(2-hydroxy-2-naphthalen-1-ylacetyl)amino]-7-methyl-2-propan-2-yloctanoyl]amino]propyl]benzoic acid Traditional Name: 4-[3-[[4-hydroxy-5-[[2-hydroxy-2-(1-naphthyl)acetyl]amino]-2-isopropyl-7-methyl-octanoyl]amino]propyl]benzoic acid Formula: C34H44N2O6 MolecularWeight: 576.72296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(C(C)C)C(=O)NCCCC1=CC=C(C=C1)C(=O)O)O)NC(=O)C(C2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

CC(C)CC(C(CC(C(C)C)C(=O)NCCCC1=CC=C(C=C1)C(=O)O)O)NC(=O)C(C2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C34H44N2O6/c1-21(2)19-29(36-33(40)31(38)27-13-7-11-24-10-5-6-12-26(24)27)30(37)20-28(22(3)4)32(39)35-18-8-9-23-14-16-25(17-15-23)34(41)42/h5-7,10-17,21-22,28-31,37-38H,8-9,18-20H2,1-4H3,(H,35,39)(H,36,40)(H,41,42)