(2S)-5-azanyl-2-[[(2S)-2-azanyl-4-phenyl-butanoyl]amino]-N-quinolin-6-yl-pentanamide

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-azanyl-4-phenyl-butanoyl]amino]-N-quinolin-6-yl-pentanamide Openeye Name: (2S)-5-amino-2-[[(2S)-2-amino-4-phenyl-butanoyl]amino]-N-(6-quinolyl)pentanamide CAS Name: (2S)-5-amino-2-[[(2S)-2-amino-1-oxo-4-phenylbutyl]amino]-N-(6-quinolinyl)pentanamide IUPAC Name: (2S)-5-amino-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-N-quinolin-6-ylpentanamide Traditional Name: (2S)-5-amino-2-[[(2S)-2-amino-4-phenyl-butanoyl]amino]-N-(6-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=C(C=C2)N=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)N[C@@H](CCCN)C(=O)NC2=CC3=C(C=C2)N=CC=C3)N

InChI

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