Daptomycin Impurity E

CAT No.

ALN-D016020

CAS No.

Mol. F.

C72H99N17O25

Mol. Wt.

1602.7

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : (3S)-3-(4-Amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-4-(((2R,5S,14S,17S,27S,30S)-17-(2-(2-aminophenyl)-2-oxoethyl)-27-(3-aminopropyl)-5-(carboxymethyl)-14-((R)-1-carboxypropan-2-yl)-11-(hydroxymethyl)-2,20-dimethyl-3,6,9,12,15,18,22,25,28,32,33-undecaoxo-19-oxa-1,4,7,10,13,16,23,26,29-nonaazabicyclo[28.2.1]tritriacontan-21-yl)amino)-4-oxobutanoic acid

Smiles : CCCCCCCCCC(N[C@@H](CC1=CNC2=C1C=CC=C2)C(NC(CC(N)=O)C(N[C@@H](CC(O)=O)C(NC(C(NCC(N[C@@H](CCCN)C(N[C@@H]3C(N(C(C3)=O)[C@H](C)C(N[C@@H](CC(O)=O)C(NCC(NC(CO)C(N[C@@]4([H])[C@@H](CC(O)=O)C)=O)=O)=O)=O)=O)=O)=O)=O)C(C)OC([C@H](CC(C5=CC=CC=C5N)=O)NC4=O)=O)=O)=O)=O)=O

Inchi : InChI=1S/C74H105N17O26/c1-5-7-8-9-10-11-12-24-55(95)82-46(27-39-33-78-43-22-16-14-19-40(39)43)67(109)85-47(29-54(77)94)68(110)88-50(32-61(104)105)70(112)91-63-38(4)117-74(116)51(28-53(93)41-20-13-15-21-42(41)76)89-73(115)62(37(3)26-58(98)99)90-71(113)52(36-92)83-57(97)34-79-64(106)48(30-59(100)101)86-65(107)44(18-6-2)84-69(111)49(31-60(102)103)87-66(108)45(23-17-25-75)81-56(96)35-80-72(63)114/h13-16,19-22,33,37-38,44-52,62-63,78,92H,5-12,17-18,23-32,34-36,75-76H2,1-4H3,(H2,77,94)(H,79,106)(H,80,114)(H,81,96)(H,82,95)(H,83,97)(H,84,111)(H,85,109)(H,86,107)(H,87,108)(H,88,110)(H,89,115)(H,90,113)(H,91,112)(H,98,99)(H,100,101)(H,102,103)(H,104,105)/t37-,38?,44-,45+,46+,47?,48+,49?,50+,51+,52?,62+,63?/m1/s1

Technical Data