(phenylmethyl) 6-[(3-azanyl-3-oxidanylidene-propyl)-tridecyl-amino]-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-[(3-azanyl-3-oxidanylidene-propyl)-tridecyl-amino]-6-oxidanylidene-5-(quinolin-2-ylcarbonylamino)hexanoate Openeye Name: benzyl 6-[(3-amino-3-oxo-propyl)-tridecyl-amino]-6-oxo-5-(quinoline-2-carbonylamino)hexanoate CAS Name: 6-[(3-amino-3-oxopropyl)-tridecylamino]-6-oxo-5-[[oxo(2-quinolinyl)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(3-amino-3-oxopropyl)-tridecylamino]-6-oxo-5-(quinoline-2-carbonylamino)hexanoate Traditional Name: 6-[(3-amino-3-keto-propyl)-tridecyl-amino]-6-keto-5-(quinaldoylamino)hexanoic acid benzyl ester Formula: C39H54N4O5 MolecularWeight: 658.86986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H54N4O5/c1-2-3-4-5-6-7-8-9-10-11-17-28-43(29-27-36(40)44)39(47)35(23-18-24-37(45)48-30-31-19-13-12-14-20-31)42-38(46)34-26-25-32-21-15-16-22-33(32)41-34/h12-16,19-22,25-26,35H,2-11,17-18,23-24,27-30H2,1H3,(H2,40,44)(H,42,46)