2-[1-(2-ethylbutanoyl)-3-[(6-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl]acetic acid
AlkaPlorer ID: AK064199
Synonym: None
IUPAC Name: 2-[(3R,4S)-1-(2-ethylbutanoyl)-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
Structure
SMILES: CCC(CC)C(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NC3=CC=C(C)C=C3N2)C1
InChI: InChI=1S/C22H31N3O3/c1-4-15(5-2)22(28)25-9-8-16(12-21(26)27)17(13-25)11-20-23-18-7-6-14(3)10-19(18)24-20/h6-7,10,15-17H,4-5,8-9,11-13H2,1-3H3,(H,23,24)(H,26,27)/t16-,17-/m0/s1
InChIKey: VAJQACBOJCBQRH-IRXDYDNUSA-N
Source
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Properties Information
Molecule Weight: 385.5080000000001
TPSA？: 86.28999999999999
MolLogP？: 3.7894200000000025
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
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