(4S)-4-cyano-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]butanoic acid

Systemtic Name: (4S)-4-cyano-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]butanoic acid Openeye Name: (4S)-4-cyano-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]butanoic acid CAS Name: (4S)-4-cyano-4-[[(2S)-1-oxo-2-[(1-oxo-6-phenylhexyl)amino]propyl]amino]butanoic acid IUPAC Name: (4S)-4-cyano-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]butanoic acid Traditional Name: (4S)-4-cyano-4-[[(2S)-2-(6-phenylhexanoylamino)propanoyl]amino]butyric acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c1-15(20(27)23-17(14-21)12-13-19(25)26)22-18(24)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,15,17H,3,6-7,10-13H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t15-,17-/m0/s1