(4S)-5-oxidanylidene-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]pentanoic acid

Systemtic Name: (4S)-5-oxidanylidene-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]pentanoic acid Openeye Name: (4S)-5-oxo-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]pentanoic acid CAS Name: (4S)-5-oxo-4-[[(2S)-1-oxo-2-[(1-oxo-6-phenylhexyl)amino]propyl]amino]pentanoic acid IUPAC Name: (4S)-5-oxo-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]pentanoic acid Traditional Name: (4S)-5-keto-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]valeric acid Formula: C20H28N2O5 MolecularWeight: 376.44672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C=O)NC(=O)CCCCCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C=O)NC(=O)CCCCCC1=CC=CC=C1

InChI

InChI=1S/C20H28N2O5/c1-15(20(27)22-17(14-23)12-13-19(25)26)21-18(24)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,14-15,17H,3,6-7,10-13H2,1H3,(H,21,24)(H,22,27)(H,25,26)/t15-,17-/m0/s1