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

Systemtic Name: 6-azanyl-2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-(glycylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Formula: C16H27N7O5 MolecularWeight: 397.42948

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)CNC(=O)CN

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)CN

InChI

InChI=1S/C16H27N7O5/c17-4-2-1-3-11(16(27)28)23-15(26)12(5-10-7-19-9-21-10)22-14(25)8-20-13(24)6-18/h7,9,11-12H,1-6,8,17-18H2,(H,19,21)(H,20,24)(H,22,25)(H,23,26)(H,27,28)