Catalog Number:
AG00IM2U
Chemical Name:
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-, compd. with ethyl (2R,3S)-2-[4-(cyclopentylamino)phenyl]-3-piperidinecarboxylate (2:1)
CAS Number:
1893415-79-6
Molecular Formula:
C59H64N2O18
Molecular Weight:
1089.1421
MDL Number:
MFCD30803437
IUPAC Name:
(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;ethyl (2R,3S)-2-[4-(cyclopentylamino)phenyl]piperidine-3-carboxylate
InChI:
InChI=1S/2C20H18O8.C19H28N2O2/c2*1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-2-23-19(22)17-8-5-13-20-18(17)14-9-11-16(12-10-14)21-15-6-3-4-7-15/h2*3-10,15-16H,1-2H3,(H,21,22)(H,23,24);9-12,15,17-18,20-21H,2-8,13H2,1H3/t2*15-,16-;17-,18-/m110/s1
InChI Key:
MVWKEZHUNDKBLC-TYHQMYQPSA-N
SMILES:
Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c1ccc(cc1)C)C(=O)O.Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c1ccc(cc1)C)C(=O)O.CCOC(=O)[C@H]1CCCN[C@H]1c1ccc(cc1)NC1CCCC1
