Caspofungin Impurity 11

CAT No.

ALN-C066024

CAS No.

Mol. F.

C52H88N10O15

Mol. Wt.

1093.3

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : (10R,12S)-N-((2R,6S,9S,11R,12S,15S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide

Smiles : O=C(C1N(C([C@](NC([C@@]([C@@](O)([H])[C@](O)([H])C2=CC=C(O)C=C2)([H])NC([C@@]3([H])N(C([C@@]([C@]([H])(O)C)([H])N4)=O)C[C@@](O)([H])C3)=O)=O)([H])[C@]([H])(O)CCN)=O)CC[C@]1([H])O)N[C@@](NCCN)([H])[C@]([H])(O)C[C@]([H])(NC(CCCCCCCC[C@@]([H])(C)C[C@](C)([H])CC)=O)C4=O

Inchi : InChI=1S/C102H168N18O30/c1-9-53(3)45-55(5)23-19-15-11-13-17-21-25-75(133)107-65-49-73(131)89(115-97(145)83-71(129)37-43-117(83)101(149)79(69(127)35-39-103)111-95(143)81(87(137)85(135)59-27-31-61(123)32-28-59)113-93(141)67-47-63(125)51-119(67)99(147)77(57(7)121)109-91(65)139)105-41-42-106-90-74(132)50-66(108-76(134)26-22-18-14-12-16-20-24-56(6)46-54(4)10-2)92(140)110-78(58(8)122)100(148)120-52-64(126)48-68(120)94(142)114-82(88(138)86(136)60-29-33-62(124)34-30-60)96(144)112-80(70(128)36-40-104)102(150)118-44-38-72(130)84(118)98(146)116-90/h27-34,53-58,63-74,77-90,105-106,121-132,135-138H,9-26,35-52,103-104H2,1-8H3,(H,107,133)(H,108,134)(H,109,139)(H,110,140)(H,111,143)(H,112,144)(H,113,141)(H,114,142)(H,115,145)(H,116,146)/t53-,54-,55+,56+,57+,58+,63+,64+,65-,66-,67-,68-,69+,70+,71-,72-,73+,74+,77-,78-,79-,80-,81-,82-,83-,84?,85-,86-,87-,88-,89-,90-/m0/s1

Technical Data