octyl (2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: octyl (2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: octyl (2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2R)-2-[(3-acetamido-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid octyl ester IUPAC Name: octyl (2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propionic acid octyl ester Formula: C19H32N4O4 MolecularWeight: 380.48178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCOC(=O)[C@@H](CC1=CN=CN1)NC(=O)CCNC(=O)C

InChI

InChI=1S/C19H32N4O4/c1-3-4-5-6-7-8-11-27-19(26)17(12-16-13-20-14-22-16)23-18(25)9-10-21-15(2)24/h13-14,17H,3-12H2,1-2H3,(H,20,22)(H,21,24)(H,23,25)/t17-/m1/s1