(2S)-6-azanyl-2-[(3-cyano-3-phenyl-propyl)amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[(3-cyano-3-phenyl-propyl)amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[(3-cyano-3-phenyl-propyl)amino]hexanoic acid CAS Name: (2S)-6-amino-2-[(3-cyano-3-phenylpropyl)amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[(3-cyano-3-phenylpropyl)amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[(3-cyano-3-phenyl-propyl)amino]hexanoic acid Formula: C16H23N3O2 MolecularWeight: 289.37272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(CCCCN)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCN[C@@H](CCCCN)C(=O)O)C#N

InChI

InChI=1S/C16H23N3O2/c17-10-5-4-8-15(16(20)21)19-11-9-14(12-18)13-6-2-1-3-7-13/h1-3,6-7,14-15,19H,4-5,8-11,17H2,(H,20,21)/t14?,15-/m0/s1