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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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