octyl 6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate

Systemtic Name: octyl 6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate Openeye Name: octyl 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate CAS Name: 6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoic acid octyl ester IUPAC Name: octyl 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate Traditional Name: 6-amino-2-[[2-(glycylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid octyl ester Formula: C22H40N6O4 MolecularWeight: 452.5908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCCCN)NC(=O)C(CC1=CN=CN1)NC(=O)CN

Isomeric SMILES

CCCCCCCCOC(=O)C(CCCCN)NC(=O)C(CC1=CN=CN1)NC(=O)CN

InChI

InChI=1S/C22H40N6O4/c1-2-3-4-5-6-9-12-32-22(31)18(10-7-8-11-23)28-21(30)19(27-20(29)14-24)13-17-15-25-16-26-17/h15-16,18-19H,2-14,23-24H2,1H3,(H,25,26)(H,27,29)(H,28,30)