2-{3-[(1H-1,3-benzodiazol-2-yl)methyl]-1-(3-methylbutanoyl)piperidin-4-yl}acetic acid
AlkaPlorer ID: AK055043
Synonym: None
IUPAC Name: 2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)-1-(3-methylbutanoyl)piperidin-4-yl]acetic acid
Structure
SMILES: CC(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NC3=CC=CC=C3N2)C1
InChI: InChI=1S/C20H27N3O3/c1-13(2)9-19(24)23-8-7-14(11-20(25)26)15(12-23)10-18-21-16-5-3-4-6-17(16)22-18/h3-6,13-15H,7-12H2,1-2H3,(H,21,22)(H,25,26)/t14-,15-/m0/s1
InChIKey: KAOXQKJFQLXPLO-GJZGRUSLSA-N
Reference
Determination of Shatavarin IV in Root Extracts of<i>Asparagus racemosus</i>by HPLC-UV
PubChem CID: 125417578
Source
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Properties Information
Molecule Weight: 357.45400000000006
TPSA？: 86.28999999999999
MolLogP？: 3.0909000000000013
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
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