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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-(4-propylpiperidin-1-yl)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-propyl-1-piperidyl)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-propyl-1-piperidinyl)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-propylpiperidin-1-yl)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-propylpiperidino)cyclohexene-1-carboxylic acid Formula: C17H29N3O3 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2C=C(CC(C2NC(=O)C)N)C(=O)O

Isomeric SMILES

CCCC1CCN(CC1)[C@@H]2C=C(C[C@@H]([C@H]2NC(=O)C)N)C(=O)O

InChI

InChI=1S/C17H29N3O3/c1-3-4-12-5-7-20(8-6-12)15-10-13(17(22)23)9-14(18)16(15)19-11(2)21/h10,12,14-16H,3-9,18H2,1-2H3,(H,19,21)(H,22,23)/t14-,15+,16+/m0/s1