(phenylmethyl) 5-azanyl-2-[2-(dodecanoylamino)propanoylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-azanyl-2-[2-(dodecanoylamino)propanoylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl 5-amino-2-[2-(dodecanoylamino)propanoylamino]-5-oxo-pentanoate CAS Name: 5-amino-5-oxo-2-[[1-oxo-2-(1-oxododecylamino)propyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-2-[2-(dodecanoylamino)propanoylamino]-5-oxopentanoate Traditional Name: 5-amino-5-keto-2-[2-(lauroylamino)propanoylamino]valeric acid benzyl ester Formula: C27H43N3O5 MolecularWeight: 489.64742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H43N3O5/c1-3-4-5-6-7-8-9-10-14-17-25(32)29-21(2)26(33)30-23(18-19-24(28)31)27(34)35-20-22-15-12-11-13-16-22/h11-13,15-16,21,23H,3-10,14,17-20H2,1-2H3,(H2,28,31)(H,29,32)(H,30,33)