6-azanyl-2-[[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Formula: C19H31N7O7 MolecularWeight: 469.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C19H31N7O7/c1-10(24-17(30)12(21)7-15(27)28)16(29)26-14(6-11-8-22-9-23-11)18(31)25-13(19(32)33)4-2-3-5-20/h8-10,12-14H,2-7,20-21H2,1H3,(H,22,23)(H,24,30)(H,25,31)(H,26,29)(H,27,28)(H,32,33)