Caspofungin Impurity F

CAT No.

ALN-C066006

CAS No.

Mol. F.

C102H168N18O30

Mol. Wt.

2126.6

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : (2S,4R)-N-((2S,3S,4S)-1-(((2S,3R)-5-amino-1-((2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl)-3-hydroxy-1-oxopentan-2-yl)amino)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl)-1-(((2R,4S,Z)-5-((2-(((2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxypropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-9-((10R,12S)-10,12-dimethyltetradecanamido)-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-12-yl)amino)ethyl)imino)-2-((10R,12S)-10,12-dimethyltetradecanamido)-4-hydroxypentanoyl)-L-threonyl)-4-hydroxypyrrolidine-2-carboxamide

Smiles : O[C@H](C[C@H](NC(CCCCCCCC[C@@H](C)C[C@@H](C)CC)=O)C(N[C@@H]([C@H](O)C)C(N1[C@H](C(N[C@@H]([C@H](O)[C@@H](O)C2=CC=C(O)C=C2)C(N[C@H]3[C@H](O)CCN)=O)=O)C[C@@H](O)C1)=O)=O)[C@H](NC([C@@H]4[C@@H](O)CCN4C3=O)=O)NCC/N=C\[C@@H](O)C[C@H](C(N[C@@H]([C@H](O)C)C(N5[C@H](C(N[C@H](C(N[C@H](C(N6[C@H](C(N)=O)[C@@H](O)CC6)=O)[C@@H](CCN)O)=O)[C@H](O)[C@@H](O)C7=CC=C(O)C=C7)=O)C[C@@H](O)C5)=O)=O)NC(CCCCCCCC[C@@H](C)C[C@H](C)CC)=O

Inchi : InChI=1/C27H26N4O5/c1-36-20-11-9-19(10-12-20)31-25-22(24(29-31)27(35)28-16-32)14-13-21(26(25)34)17-5-7-18(8-6-17)30-15-3-2-4-23(30)33/h5-12,16,21H,2-4,13-15H2,1H3,(H,28,32,35)

Technical Data