(2S)-5-azanyl-2-[[(2S)-2-azanyl-4-phenyl-butanoyl]amino]-N-quinolin-3-yl-pentanamide

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-azanyl-4-phenyl-butanoyl]amino]-N-quinolin-3-yl-pentanamide Openeye Name: (2S)-5-amino-2-[[(2S)-2-amino-4-phenyl-butanoyl]amino]-N-(3-quinolyl)pentanamide CAS Name: (2S)-5-amino-2-[[(2S)-2-amino-1-oxo-4-phenylbutyl]amino]-N-(3-quinolinyl)pentanamide IUPAC Name: (2S)-5-amino-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-N-quinolin-3-ylpentanamide Traditional Name: (2S)-5-amino-2-[[(2S)-2-amino-4-phenyl-butanoyl]amino]-N-(3-quinolyl)valeramide Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2/c25-14-6-11-22(29-23(30)20(26)13-12-17-7-2-1-3-8-17)24(31)28-19-15-18-9-4-5-10-21(18)27-16-19/h1-5,7-10,15-16,20,22H,6,11-14,25-26H2,(H,28,31)(H,29,30)/t20-,22-/m0/s1