methyl 11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoate

Systemtic Name: methyl 11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoate Openeye Name: methyl 11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoate CAS Name: 11-[[(2S)-1-oxo-2-(1-oxododecylamino)-3-phenylpropyl]amino]undecanoic acid methyl ester IUPAC Name: methyl 11-[[(2S)-2-(dodecanoylamino)-3-phenylpropanoyl]amino]undecanoate Traditional Name: 11-[[(2S)-2-(lauroylamino)-3-phenyl-propanoyl]amino]undecanoic acid methyl ester Formula: C33H56N2O4 MolecularWeight: 544.80874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C33H56N2O4/c1-3-4-5-6-7-8-11-14-20-25-31(36)35-30(28-29-23-18-17-19-24-29)33(38)34-27-22-16-13-10-9-12-15-21-26-32(37)39-2/h17-19,23-24,30H,3-16,20-22,25-28H2,1-2H3,(H,34,38)(H,35,36)/t30-/m0/s1