Daptomycin Impurity 12

CAT No.

ALN-D016025

CAS No.

Mol. F.

C44H65N9O15

Mol. Wt.

960.1

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : 2-((3S,9S,12S,15R)-18-((1H-Indol-3-yl)methyl)-15-(2-amino-2-oxoethyl)-3-(3-aminopropyl)-12-(carboxymethyl)-9-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-4,7,10,13,16,19-hexaazanonacosyl)malonic acid

Smiles : CCCCCCCCCC(NC(C(N[C@H](CC(N)=O)C(N[C@@H](CC(O)=O)C(N[C@H](C(NCC(N[C@H](C(CC(C(O)=O)C(O)=O)=O)CCCN)=O)=O)[C@H](O)C)=O)=O)=O)CC1=CNC2=C1C=CC=C2)=O

Inchi : InChI=1S/C72H103N17O27/c1-5-6-7-8-9-10-11-22-53(93)82-45(25-38-31-77-43-20-15-13-17-39(38)43)65(107)85-46(28-52(76)92)66(108)86-48(30-59(102)103)67(109)89-61(69(111)79-33-54(94)81-44(71(113)114)21-16-23-73)37(4)116-72(115)49(27-51(91)40-18-12-14-19-41(40)74)87-70(112)60(35(2)24-56(96)97)88-68(110)50(34-90)83-55(95)32-78-64(106)47(29-58(100)101)84-62(104)36(3)80-63(105)42(75)26-57(98)99/h12-15,17-20,31,35-37,42,44-50,60-61,77,90H,5-11,16,21-30,32-34,73-75H2,1-4H3,(H2,76,92)(H,78,106)(H,79,111)(H,80,105)(H,81,94)(H,82,93)(H,83,95)(H,84,104)(H,85,107)(H,86,108)(H,87,112)(H,88,110)(H,89,109)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,113,114)/t35-,36+,37+,42-,44-,45-,46+,47-,48-,49-,50+,60-,61-/m0/s1

Technical Data