2-(2-azanylhexanoylamino)-2-ethyl-7-methyl-3-(2-methyl-3-naphthalen-1-yl-propanoyl)-4-oxidanyl-octanoic acid

Systemtic Name: 2-(2-azanylhexanoylamino)-2-ethyl-7-methyl-3-(2-methyl-3-naphthalen-1-yl-propanoyl)-4-oxidanyl-octanoic acid Openeye Name: 2-(2-aminohexanoylamino)-2-ethyl-4-hydroxy-7-methyl-3-[2-methyl-3-(1-naphthyl)propanoyl]octanoic acid CAS Name: 2-[(2-amino-1-oxohexyl)amino]-2-ethyl-4-hydroxy-7-methyl-3-[2-methyl-3-(1-naphthalenyl)-1-oxopropyl]octanoic acid IUPAC Name: 2-(2-aminohexanoylamino)-2-ethyl-4-hydroxy-7-methyl-3-(2-methyl-3-naphthalen-1-ylpropanoyl)octanoic acid Traditional Name: 2-(2-aminohexanoylamino)-2-ethyl-4-hydroxy-7-methyl-3-[2-methyl-3-(1-naphthyl)propanoyl]caprylic acid Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC)(C(C(CCC(C)C)O)C(=O)C(C)CC1=CC=CC2=CC=CC=C21)C(=O)O)N

Isomeric SMILES

CCCCC(C(=O)NC(CC)(C(C(CCC(C)C)O)C(=O)C(C)CC1=CC=CC2=CC=CC=C21)C(=O)O)N

InChI

InChI=1S/C31H46N2O5/c1-6-8-16-25(32)29(36)33-31(7-2,30(37)38)27(26(34)18-17-20(3)4)28(35)21(5)19-23-14-11-13-22-12-9-10-15-24(22)23/h9-15,20-21,25-27,34H,6-8,16-19,32H2,1-5H3,(H,33,36)(H,37,38)