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

Systemtic Name: potassium (3R,4R,5S)-4-acetamido-5-azanyl-3-(pentan-3-ylamino)cyclohexene-1-carboxylate Openeye Name: potassium (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropylamino)cyclohexene-1-carboxylate CAS Name: potassium (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-ylamino)-1-cyclohexenecarboxylate IUPAC Name: potassium (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-ylamino)cyclohexene-1-carboxylate Traditional Name: potassium (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropylamino)cyclohexene-1-carboxylate Formula: C14H24KN3O3 MolecularWeight: 321.45696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1C=C(CC(C1NC(=O)C)N)C(=O)[O-].[K+]

Isomeric SMILES

CCC(CC)N[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)[O-].[K+]

InChI

InChI=1S/C14H25N3O3.K/c1-4-10(5-2)17-12-7-9(14(19)20)6-11(15)13(12)16-8(3)18;/h7,10-13,17H,4-6,15H2,1-3H3,(H,16,18)(H,19,20);/q;+1/p-1/t11-,12+,13+;/m0./s1