Catalog Number:
AG00346D
Chemical Name:
5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate
CAS Number:
239463-85-5
Molecular Formula:
C26H31N3O8
Molecular Weight:
513.5396
MDL Number:
MFCD16038449
IUPAC Name:
3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2R,3R)-2,3-dihydroxybutanedioic acid
InChI:
InChI=1S/C22H25N3O2.C4H6O6/c1-16(24)12-17-13-19-8-10-25(21(19)20(14-17)15-23)9-5-11-27-22(26)18-6-3-2-4-7-18;5-1(3(7)8)2(6)4(9)10/h2-4,6-7,13-14,16H,5,8-12,24H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1
InChI Key:
KYUCVOVGODORNE-NUFNRNBZSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)O)O.N#Cc1cc(C[C@H](N)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
