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

Systemtic Name: (2S)-2-azanyl-6-(dimethylamino)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide Openeye Name: (2S)-2-amino-6-(dimethylamino)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]hexanamide CAS Name: (2S)-2-amino-6-(dimethylamino)-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]hexanamide IUPAC Name: (2S)-2-amino-6-(dimethylamino)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide Traditional Name: (2S)-2-amino-6-(dimethylamino)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]hexanamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O2/c1-32(2)17-9-8-13-23(28)26(33)31-25(16-15-20-10-4-3-5-11-20)27(34)30-22-18-21-12-6-7-14-24(21)29-19-22/h3-7,10-12,14,18-19,23,25H,8-9,13,15-17,28H2,1-2H3,(H,30,34)(H,31,33)/t23-,25+/m0/s1