(phenylmethyl) 5-azanyl-5-oxidanylidene-4-[2-(7-oxidanylidenetetradecanoylamino)propanoylamino]pentanoate

Systemtic Name: (phenylmethyl) 5-azanyl-5-oxidanylidene-4-[2-(7-oxidanylidenetetradecanoylamino)propanoylamino]pentanoate Openeye Name: benzyl 5-amino-5-oxo-4-[2-(7-oxotetradecanoylamino)propanoylamino]pentanoate CAS Name: 5-amino-4-[[2-(1,7-dioxotetradecylamino)-1-oxopropyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-5-oxo-4-[2-(7-oxotetradecanoylamino)propanoylamino]pentanoate Traditional Name: 5-amino-5-keto-4-[2-(7-ketotetradecanoylamino)propanoylamino]valeric acid benzyl ester Formula: C29H45N3O6 MolecularWeight: 531.6841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCCCCC(=O)NC(C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N

Isomeric SMILES

CCCCCCCC(=O)CCCCCC(=O)NC(C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C29H45N3O6/c1-3-4-5-6-11-16-24(33)17-12-8-13-18-26(34)31-22(2)29(37)32-25(28(30)36)19-20-27(35)38-21-23-14-9-7-10-15-23/h7,9-10,14-15,22,25H,3-6,8,11-13,16-21H2,1-2H3,(H2,30,36)(H,31,34)(H,32,37)