187884-92-0
(S)-2-((3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO)-4-METHYLPENTANOIC ACID
Name(S)-2-((3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO)-4-METHYLPENTANOIC ACID
1Identification
【Name】
(S)-2-((3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO)-4-METHYLPENTANOIC ACID
【CAS】
【MDL】
MFCD01938217
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H24 N2 O2
【pro_molWeight】
288.389
【Inchi】
InChI=1S/C17H24N2O2/c1-11(2)9-14(16(20)21)18-15-13-8-6-5-7-12(13)10-17(3,4)19-15/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)(H,20,21)/t14-/m0/s1
【InChIKey】
InChIKey=CFSVWPQERLQYDF-AWEZNQCLSA-N
【SMILES】
CC(C)C[C@@H](C(=O)O)NC1=NC(Cc2c1cccc2)(C)C
【MOL File】
(S)-2-((3,3-DIMETHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(S)-2-((3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO)-4-METHYLPENTANOIC ACID.cml