2-[[2-azanyl-6-[(4-cyanophenyl)carbonylamino]hexanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-azanyl-6-[(4-cyanophenyl)carbonylamino]hexanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[2-amino-6-[(4-cyanobenzoyl)amino]hexanoyl]-methyl-amino]acetic acid CAS Name: 2-[[2-amino-6-[[(4-cyanophenyl)-oxomethyl]amino]-1-oxohexyl]-methylamino]acetic acid IUPAC Name: 2-[[2-amino-6-[(4-cyanobenzoyl)amino]hexanoyl]-methylamino]acetic acid Traditional Name: 2-[[2-amino-6-[(4-cyanobenzoyl)amino]hexanoyl]-methyl-amino]acetic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-21(11-15(22)23)17(25)14(19)4-2-3-9-20-16(24)13-7-5-12(10-18)6-8-13/h5-8,14H,2-4,9,11,19H2,1H3,(H,20,24)(H,22,23)