(2S)-5-azanyl-2-(methylamino)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide

Systemtic Name: (2S)-5-azanyl-2-(methylamino)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide Openeye Name: (2S)-5-amino-2-(methylamino)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]pentanamide CAS Name: (2S)-5-amino-2-(methylamino)-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]pentanamide IUPAC Name: (2S)-5-amino-2-(methylamino)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide Traditional Name: (2S)-5-amino-2-(methylamino)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]valeramide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCN)C(=O)NC(CCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CN[C@@H](CCCN)C(=O)N[C@H](CCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C25H31N5O2/c1-27-22(12-7-15-26)24(31)30-23(14-13-18-8-3-2-4-9-18)25(32)29-20-16-19-10-5-6-11-21(19)28-17-20/h2-6,8-11,16-17,22-23,27H,7,12-15,26H2,1H3,(H,29,32)(H,30,31)/t22-,23+/m0/s1