(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-methyl-amino]-N-quinolin-3-yl-pentanamide

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]-methyl-amino]-N-quinolin-3-yl-pentanamide Openeye Name: (2S)-5-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]-methyl-amino]-N-(3-quinolyl)pentanamide CAS Name: (2S)-5-amino-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]-methylamino]-N-(3-quinolinyl)pentanamide IUPAC Name: (2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-N-quinolin-3-ylpentanamide Traditional Name: (2S)-5-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]-methyl-amino]-N-(3-quinolyl)valeramide Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCN)C(=O)NC1=CC2=CC=CC=C2N=C1)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CN([C@@H](CCCN)C(=O)NC1=CC2=CC=CC=C2N=C1)C(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C24H29N5O2/c1-29(24(31)20(26)14-17-8-3-2-4-9-17)22(12-7-13-25)23(30)28-19-15-18-10-5-6-11-21(18)27-16-19/h2-6,8-11,15-16,20,22H,7,12-14,25-26H2,1H3,(H,28,30)/t20-,22-/m0/s1