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

Systemtic Name: (2S)-2,6-bis(azanyl)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide Openeye Name: (2S)-2,6-diamino-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]hexanamide CAS Name: (2S)-2,6-diamino-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]hexanamide IUPAC Name: (2S)-2,6-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide Traditional Name: (2S)-2,6-diamino-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]hexanamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NC2=CC3=CC=CC=C3N=C2)NC(=O)C(CCCCN)N

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2/c26-15-7-6-11-21(27)24(31)30-23(14-13-18-8-2-1-3-9-18)25(32)29-20-16-19-10-4-5-12-22(19)28-17-20/h1-5,8-10,12,16-17,21,23H,6-7,11,13-15,26-27H2,(H,29,32)(H,30,31)/t21-,23+/m0/s1