Caspofungin Impurity 3

CAT No.

ALN-C066014

CAS No.

Mol. F.

C51H83N7O14

Mol. Wt.

1018.3

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : N-((2R,6S,9S,14aS,15S,20S,23S,25aS)-20-((R)-3-Amino-1-hydroxypropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,15-dihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[1,2-a:1′,2′-j][1,4,7,10,13]pentaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide

Smiles : O=C(C[C@H](C(N1[C@H]2C[C@@H](O)C1)=O)[C@H](O)C)[C@@H](NC(CCCCCCCCC(C)CC(C)CC)=O)CCCNC([C@@H]3[C@@H](O)CCN3C([C@H]([C@H](O)CCN)NC([C@H]([C@H](O)[C@@H](O)C4=CC=C(O)C=C4)NC2=O)=O)=O)=O

Inchi : InChI=1S/C51H83N7O15/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-41(66)54-36-23-33(61)26-53-49(71)44-39(64)19-21-57(44)51(73)42(38(63)18-20-52)55-48(70)43(46(68)45(67)31-14-16-32(60)17-15-31)56-47(69)37-24-34(62)27-58(37)50(72)35(30(4)59)25-40(36)65/h14-17,28-30,33-39,42-46,59-64,67-68H,5-13,18-27,52H2,1-4H3,(H,53,71)(H,54,66)(H,55,70)(H,56,69)/t28?,29?,30-,33-,34-,35+,36+,37+,38-,39+,42+,43+,44+,45+,46+/m1/s1

Technical Data