methyl (2S)-6-azanyl-2-[dodecanoyl(octanoyl)amino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[dodecanoyl(octanoyl)amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[dodecanoyl(octanoyl)amino]hexanoate CAS Name: (2S)-6-amino-2-[1-oxododecyl(1-oxooctyl)amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[dodecanoyl(octanoyl)amino]hexanoate Traditional Name: (2S)-6-amino-2-[caprylyl(lauroyl)amino]hexanoic acid methyl ester Formula: C27H52N2O4 MolecularWeight: 468.71278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(C(CCCCN)C(=O)OC)C(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)N([C@@H](CCCCN)C(=O)OC)C(=O)CCCCCCC

InChI

InChI=1S/C27H52N2O4/c1-4-6-8-10-11-12-13-15-17-22-26(31)29(25(30)21-16-14-9-7-5-2)24(27(32)33-3)20-18-19-23-28/h24H,4-23,28H2,1-3H3/t24-/m0/s1