6-azanyl-2-[[2-(2-azanylpropanoylamino)-3-(1-methylimidazol-4-yl)propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-(2-azanylpropanoylamino)-3-(1-methylimidazol-4-yl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-(2-aminopropanoylamino)-3-(1-methylimidazol-4-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-3-(1-methyl-4-imidazolyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-(2-aminopropanoylamino)-3-(1-methylimidazol-4-yl)propanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(alanylamino)-3-(1-methylimidazol-4-yl)propanoyl]amino]-6-amino-hexanoic acid Formula: C16H28N6O4 MolecularWeight: 368.43132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CN(C=N1)C)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CC(C(=O)NC(CC1=CN(C=N1)C)C(=O)NC(CCCCN)C(=O)O)N

InChI

InChI=1S/C16H28N6O4/c1-10(18)14(23)21-13(7-11-8-22(2)9-19-11)15(24)20-12(16(25)26)5-3-4-6-17/h8-10,12-13H,3-7,17-18H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)