6-azanyl-2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid; ethanoic acid

Systemtic Name: 6-azanyl-2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid; ethanoic acid Openeye Name: acetic acid; 6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid CAS Name: acetic acid; 6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: acetic acid; 6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Traditional Name: acetic acid; 6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Formula: C14H25N5O5 MolecularWeight: 343.3788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CC(=O)O.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)O)N

InChI

InChI=1S/C12H21N5O3.C2H4O2/c13-4-2-1-3-10(12(19)20)17-11(18)9(14)5-8-6-15-7-16-8;1-2(3)4/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20);1H3,(H,3,4)