N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-(quinolin-3-ylmethylamino)pentanamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-(quinolin-3-ylmethylamino)pentanamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-5-(3-quinolylmethylamino)pentanamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(3-quinolinylmethylamino)pentanamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(quinolin-3-ylmethylamino)pentanamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-5-(3-quinolylmethylamino)valeramide Formula: C24H28N4O2 MolecularWeight: 404.50472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)CCCCNCC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)CCCCNCC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C24H28N4O2/c25-24(30)22(15-18-8-2-1-3-9-18)28-23(29)12-6-7-13-26-16-19-14-20-10-4-5-11-21(20)27-17-19/h1-5,8-11,14,17,22,26H,6-7,12-13,15-16H2,(H2,25,30)(H,28,29)/t22-/m0/s1