(3R,4R,5S)-4-acetamido-5-azanyl-3-(3,3-diethylazetidin-1-yl)cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-(3,3-diethylazetidin-1-yl)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(3,3-diethylazetidin-1-yl)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-(3,3-diethyl-1-azetidinyl)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-(3,3-diethylazetidin-1-yl)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(3,3-diethylazetidin-1-yl)cyclohexene-1-carboxylic acid Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C1)C2C=C(CC(C2NC(=O)C)N)C(=O)O)CC

Isomeric SMILES

CCC1(CN(C1)[C@@H]2C=C(C[C@@H]([C@H]2NC(=O)C)N)C(=O)O)CC

InChI

InChI=1S/C16H27N3O3/c1-4-16(5-2)8-19(9-16)13-7-11(15(21)22)6-12(17)14(13)18-10(3)20/h7,12-14H,4-6,8-9,17H2,1-3H3,(H,18,20)(H,21,22)/t12-,13+,14+/m0/s1