Catalog Number:
AG00GSVC
Chemical Name:
L-Octahydroindole-2-carboxylic acid benzyl ester 4-methylbenzenesulfonate
CAS Number:
94062-52-9
Molecular Formula:
C23H29NO5S
Molecular Weight:
431.5451
MDL Number:
MFCD09751101
IUPAC Name:
benzyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C16H21NO2.C7H8O3S/c18-16(19-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)17-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,13-15,17H,4-5,8-11H2;2-5H,1H3,(H,8,9,10)/t13-,14-,15-;/m0./s1
InChI Key:
PTLASYHTXGUCJU-WDTSGDEMSA-N
SMILES:
O=C([C@@H]1C[C@H]2[C@@H](N1)CCCC2)OCc1ccccc1.Cc1ccc(cc1)S(=O)(=O)O
EC Number:
618-998-7
