(phenylmethyl) 6-[[2-(methylamino)-2-oxidanylidene-ethyl]-tridecyl-amino]-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-[[2-(methylamino)-2-oxidanylidene-ethyl]-tridecyl-amino]-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoate Openeye Name: benzyl 6-[[2-(methylamino)-2-oxo-ethyl]-tridecyl-amino]-6-oxo-5-(quinoline-2-carbonylamino)hexanoate CAS Name: 6-[[2-(methylamino)-2-oxoethyl]-tridecylamino]-6-oxo-5-[[oxo(2-quinolinyl)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[[2-(methylamino)-2-oxoethyl]-tridecylamino]-6-oxo-5-(quinoline-2-carbonylamino)hexanoate Traditional Name: 6-keto-6-[[2-keto-2-(methylamino)ethyl]-tridecyl-amino]-5-(quinaldoylamino)hexanoic acid benzyl ester Formula: C39H54N4O5 MolecularWeight: 658.86986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCN(CC(=O)NC)C(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCCCCCN(CC(=O)NC)C(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C39H54N4O5/c1-3-4-5-6-7-8-9-10-11-12-18-28-43(29-36(44)40-2)39(47)35(24-19-25-37(45)48-30-31-20-14-13-15-21-31)42-38(46)34-27-26-32-22-16-17-23-33(32)41-34/h13-17,20-23,26-27,35H,3-12,18-19,24-25,28-30H2,1-2H3,(H,40,44)(H,42,46)