2-[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[15-methyl-3-(13-methyl-1-oxotetradecoxy)-1-oxohexadecyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]-3-phenyl-propionic acid Formula: C43H74N2O6 MolecularWeight: 715.05746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C

InChI

InChI=1S/C43H74N2O6/c1-35(2)26-20-15-11-7-5-9-13-17-24-30-38(51-42(48)31-25-18-14-10-6-8-12-16-21-27-36(3)4)33-40(46)44-34-41(47)45-39(43(49)50)32-37-28-22-19-23-29-37/h19,22-23,28-29,35-36,38-39H,5-18,20-21,24-27,30-34H2,1-4H3,(H,44,46)(H,45,47)(H,49,50)