ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-(pentan-3-ylamino)cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-(pentan-3-ylamino)cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropylamino)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-ylamino)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-ylamino)cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropylamino)cyclohexene-1-carboxylic acid ethyl ester Formula: C16H29N3O3 MolecularWeight: 311.41976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1C=C(CC(C1NC(=O)C)N)C(=O)OCC

Isomeric SMILES

CCC(CC)N[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC

InChI

InChI=1S/C16H29N3O3/c1-5-12(6-2)19-14-9-11(16(21)22-7-3)8-13(17)15(14)18-10(4)20/h9,12-15,19H,5-8,17H2,1-4H3,(H,18,20)/t13-,14+,15+/m0/s1