2,5-bis(azanyl)-N-[1-oxidanylidene-1-(3-phenylpropylamino)-3-quinolin-3-yl-propan-2-yl]pentanamide

Systemtic Name: 2,5-bis(azanyl)-N-[1-oxidanylidene-1-(3-phenylpropylamino)-3-quinolin-3-yl-propan-2-yl]pentanamide Openeye Name: 2,5-diamino-N-[2-oxo-2-(3-phenylpropylamino)-1-(3-quinolylmethyl)ethyl]pentanamide CAS Name: 2,5-diamino-N-[1-oxo-1-(3-phenylpropylamino)-3-(3-quinolinyl)propan-2-yl]pentanamide IUPAC Name: 2,5-diamino-N-[1-oxo-1-(3-phenylpropylamino)-3-quinolin-3-ylpropan-2-yl]pentanamide Traditional Name: 2,5-diamino-N-[2-keto-2-(3-phenylpropylamino)-1-(3-quinolylmethyl)ethyl]valeramide Formula: C26H33N5O2 MolecularWeight: 447.57252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(CC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C(CC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCN)N

InChI

InChI=1S/C26H33N5O2/c27-14-6-12-22(28)25(32)31-24(17-20-16-21-11-4-5-13-23(21)30-18-20)26(33)29-15-7-10-19-8-2-1-3-9-19/h1-5,8-9,11,13,16,18,22,24H,6-7,10,12,14-15,17,27-28H2,(H,29,33)(H,31,32)