phenethyl (2S)-5-azanyl-2-(dodecanoylamino)-5-oxidanylidene-pentanoate

Systemtic Name: phenethyl (2S)-5-azanyl-2-(dodecanoylamino)-5-oxidanylidene-pentanoate Openeye Name: phenethyl (2S)-5-amino-2-(dodecanoylamino)-5-oxo-pentanoate CAS Name: (2S)-5-amino-5-oxo-2-(1-oxododecylamino)pentanoic acid phenethyl ester IUPAC Name: phenethyl (2S)-5-amino-2-(dodecanoylamino)-5-oxopentanoate Traditional Name: (2S)-5-amino-5-keto-2-(lauroylamino)valeric acid phenethyl ester Formula: C25H40N2O4 MolecularWeight: 432.5961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCC(=O)N)C(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C25H40N2O4/c1-2-3-4-5-6-7-8-9-13-16-24(29)27-22(17-18-23(26)28)25(30)31-20-19-21-14-11-10-12-15-21/h10-12,14-15,22H,2-9,13,16-20H2,1H3,(H2,26,28)(H,27,29)/t22-/m0/s1