Carbetocin Impurity 3

CAT No.

ALN-C169004

CAS No.

69228-04-2

Mol. F.

C45H68N10O13S

Mol. Wt.

989.2

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Product Overview

Chemical Name : 3-((3R,6S,9S,12S,15S)-6-(2-Amino-2-oxoethyl)-3-((S)-2-(((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-9-yl)propanoic acid

Smiles : COC1=CC=C(C[C@@H](C(N[C@@](C(N[C@@]([H])(CCC(O)=O)C(N[C@H]2CC(N)=O)=O)=O)([H])[C@@H](C)CC)=O)NC(CCCSC[C@@H](C(N3CCC[C@H]3C(N[C@H](C(NCC(N)=O)=O)CC(C)C)=O)=O)NC2=O)=O)C=C1

Inchi : InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30?,31?,32?,33-,38-/m0/s1

Technical Data

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