2-{3-[(7-methoxy-1H-1,3-benzodiazol-2-yl)methyl]-1-[(propan-2-yl)carbamoyl]piperidin-4-yl}acetic acid
AlkaPlorer ID: AK057268
Synonym: None
IUPAC Name: 2-[(3R,4S)-3-[(4-methoxy-1H-benzimidazol-2-yl)methyl]-1-(propan-2-ylcarbamoyl)piperidin-4-yl]acetic acid
Structure
SMILES: COC1=CC=CC2=C1NC(C[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)O)=N2
InChI: InChI=1S/C20H28N4O4/c1-12(2)21-20(27)24-8-7-13(10-18(25)26)14(11-24)9-17-22-15-5-4-6-16(28-3)19(15)23-17/h4-6,12-14H,7-11H2,1-3H3,(H,21,27)(H,22,23)(H,25,26)/t13-,14-/m0/s1
InChIKey: OIBGKKNBXJUHDF-KBPBESRZSA-N
Source
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Properties Information
Molecule Weight: 388.4680000000002
TPSA？: 107.55
MolLogP？: 2.6448
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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