(phenylmethyl) 5-[2-azanylethyl(methyl)amino]-2-(decanoylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-[2-azanylethyl(methyl)amino]-2-(decanoylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl 5-[2-aminoethyl(methyl)amino]-2-(decanoylamino)-5-oxo-pentanoate CAS Name: 5-[2-aminoethyl(methyl)amino]-5-oxo-2-(1-oxodecylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[2-aminoethyl(methyl)amino]-2-(decanoylamino)-5-oxopentanoate Traditional Name: 5-[2-aminoethyl(methyl)amino]-2-(caprylamino)-5-keto-valeric acid benzyl ester Formula: C25H41N3O4 MolecularWeight: 447.61074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CCC(=O)N(C)CCN)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCC(=O)NC(CCC(=O)N(C)CCN)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H41N3O4/c1-3-4-5-6-7-8-12-15-23(29)27-22(16-17-24(30)28(2)19-18-26)25(31)32-20-21-13-10-9-11-14-21/h9-11,13-14,22H,3-8,12,15-20,26H2,1-2H3,(H,27,29)