[2-acetamido-1-[[4-[(2,6-dimethyl-4-oxidanylidene-heptan-3-yl)-ethanoyl-amino]-1-phenyl-butyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl] decanoate

Systemtic Name: [2-acetamido-1-[[4-[(2,6-dimethyl-4-oxidanylidene-heptan-3-yl)-ethanoyl-amino]-1-phenyl-butyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl] decanoate Openeye Name: [1-acetamido-1-[[4-[acetyl-(1-isopropyl-4-methyl-2-oxo-pentyl)amino]-1-phenyl-butyl]carbamoyl]-2-methyl-propyl] decanoate CAS Name: decanoic acid [2-acetamido-1-[[4-[acetyl-(2,6-dimethyl-4-oxoheptan-3-yl)amino]-1-phenylbutyl]amino]-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [2-acetamido-1-[[4-[acetyl-(2,6-dimethyl-4-oxoheptan-3-yl)amino]-1-phenylbutyl]amino]-3-methyl-1-oxobutan-2-yl] decanoate Traditional Name: capric acid [1-acetamido-1-[[4-[acetyl-(1-isopropyl-2-keto-4-methyl-pentyl)amino]-1-phenyl-butyl]carbamoyl]-2-methyl-propyl] ester Formula: C38H63N3O6 MolecularWeight: 657.92332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(C(C)C)(C(=O)NC(CCCN(C(C(C)C)C(=O)CC(C)C)C(=O)C)C1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CCCCCCCCCC(=O)OC(C(C)C)(C(=O)NC(CCCN(C(C(C)C)C(=O)CC(C)C)C(=O)C)C1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C38H63N3O6/c1-10-11-12-13-14-15-19-24-35(45)47-38(29(6)7,40-30(8)42)37(46)39-33(32-21-17-16-18-22-32)23-20-25-41(31(9)43)36(28(4)5)34(44)26-27(2)3/h16-18,21-22,27-29,33,36H,10-15,19-20,23-26H2,1-9H3,(H,39,46)(H,40,42)