(2S)-2-azanyl-6-(methylamino)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide

Systemtic Name: (2S)-2-azanyl-6-(methylamino)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide Openeye Name: (2S)-2-amino-6-(methylamino)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]hexanamide CAS Name: (2S)-2-amino-6-(methylamino)-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]hexanamide IUPAC Name: (2S)-2-amino-6-(methylamino)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide Traditional Name: (2S)-2-amino-6-(methylamino)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]hexanamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3N=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2/c1-28-16-8-7-12-22(27)25(32)31-24(15-14-19-9-3-2-4-10-19)26(33)30-21-17-20-11-5-6-13-23(20)29-18-21/h2-6,9-11,13,17-18,22,24,28H,7-8,12,14-16,27H2,1H3,(H,30,33)(H,31,32)/t22-,24+/m0/s1