(phenylmethyl) 2-[4-[azanyl(2-azanylpentanoyl)amino]-4-oxidanylidene-butyl]tridecanoate

Systemtic Name: (phenylmethyl) 2-[4-[azanyl(2-azanylpentanoyl)amino]-4-oxidanylidene-butyl]tridecanoate Openeye Name: benzyl 2-[4-[amino(2-aminopentanoyl)amino]-4-oxo-butyl]tridecanoate CAS Name: 2-[4-[amino-(2-amino-1-oxopentyl)amino]-4-oxobutyl]tridecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[amino(2-aminopentanoyl)amino]-4-oxobutyl]tridecanoate Traditional Name: 2-[4-[amino(2-aminopentanoyl)amino]-4-keto-butyl]tridecanoic acid benzyl ester Formula: C29H49N3O4 MolecularWeight: 503.71706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49N3O4/c1-3-5-6-7-8-9-10-11-15-20-25(29(35)36-23-24-18-13-12-14-19-24)21-16-22-27(33)32(31)28(34)26(30)17-4-2/h12-14,18-19,25-26H,3-11,15-17,20-23,30-31H2,1-2H3