(2S)-2-(2-azanylethanoylamino)-6-[(4-cyanophenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-6-[(4-cyanophenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-6-[(4-cyanobenzoyl)amino]hexanoic acid CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-6-[[(4-cyanophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-6-[(4-cyanobenzoyl)amino]hexanoic acid Traditional Name: (2S)-6-[(4-cyanobenzoyl)amino]-2-(glycylamino)hexanoic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NCCCCC(C(=O)O)NC(=O)CN

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)CN

InChI

InChI=1S/C16H20N4O4/c17-9-11-4-6-12(7-5-11)15(22)19-8-2-1-3-13(16(23)24)20-14(21)10-18/h4-7,13H,1-3,8,10,18H2,(H,19,22)(H,20,21)(H,23,24)/t13-/m0/s1