Caspofungin Impurity 14

CAT No.

ALN-C066028

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-(((2S,4R,E)-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](O)CCN)=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=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1

Technical Data