methyl 11-[[(2S)-2-(dodecanoylamino)-4-methyl-pentanoyl]amino]undecanoate

Systemtic Name: methyl 11-[[(2S)-2-(dodecanoylamino)-4-methyl-pentanoyl]amino]undecanoate Openeye Name: methyl 11-[[(2S)-2-(dodecanoylamino)-4-methyl-pentanoyl]amino]undecanoate CAS Name: 11-[[(2S)-4-methyl-1-oxo-2-(1-oxododecylamino)pentyl]amino]undecanoic acid methyl ester IUPAC Name: methyl 11-[[(2S)-2-(dodecanoylamino)-4-methylpentanoyl]amino]undecanoate Traditional Name: 11-[[(2S)-2-(lauroylamino)-4-methyl-pentanoyl]amino]undecanoic acid methyl ester Formula: C30H58N2O4 MolecularWeight: 510.79252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)NCCCCCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C30H58N2O4/c1-5-6-7-8-9-10-13-16-19-22-28(33)32-27(25-26(2)3)30(35)31-24-21-18-15-12-11-14-17-20-23-29(34)36-4/h26-27H,5-25H2,1-4H3,(H,31,35)(H,32,33)/t27-/m0/s1