Daptomycin Beta-Isomer

CAT No.

ALN-D016002

CAS No.

123180-72-3

Mol. F.

C72H101N17O26

Mol. Wt.

1620.7

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : 2,2′-((3S,6S,9R,15S,18S,21S,24S,31S)-30-((R)-2-((R)-4-Amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-24-(3-aminopropyl)-6-((R)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontane-15,21-diyl)diacetic acid

Smiles : O=C1NCC(N[C@@H](CCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(NCC(N[C@H](CO)C(N[C@@H]([C@H](C)CC(O)=O)C(N[C@@H](CC(C2=CC=CC=C2N)=O)C(O[C@@H](C)C1NC([C@H](NC([C@H](NC([C@@H](NC(CCCCCCCCC)=O)CC3=CNC4=C3C=CC=C4)=O)CC(N)=O)=O)CC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O

Inchi : InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36+,37?,43-,44-,45-,46-,47?,48-,49-,50-,60?,61?/m0/s1

Technical Data