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

Systemtic Name: 6-azanyl-2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Formula: C17H28N6O6 MolecularWeight: 412.44082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O6/c18-6-2-1-3-12(17(28)29)22-16(27)13(7-10-8-20-9-21-10)23-15(26)11(19)4-5-14(24)25/h8-9,11-13H,1-7,18-19H2,(H,20,21)(H,22,27)(H,23,26)(H,24,25)(H,28,29)