Oxytocinimine

CAT No.

ALN-O041009

CAS No.

Mol. F.

C43H68N12O11S2

Mol. Wt.

993.2

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : (S)-N1-((3S,6R)-6-((S)-1-(((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)amino)pyrrolidine-2-carboxamido)-1-imino-7-mercapto-4,5-dioxoheptan-3-yl)-2-((2S,3S)-2-((S)-2-((R)-2-amino-3-mercaptopropanamido)-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)pentanediamide

Smiles : O=C(N[C@H](C(C([C@@H](NC([C@H]1N(N[C@@H](CC(C)C)C(NCC(N)=O)=O)CCC1)=O)CS)=O)=O)CC=N)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CS)=O)CC2=CC=C(O)C=C2)=O)[C@@H](C)CC)=O)CCC(N)=O

Inchi : InChI=1S/C43H68N12O12S2/c1-5-22(4)35(53-42(66)27(50-38(62)25(44)19-68)16-23-8-10-24(56)11-9-23)43(67)49-26(12-13-32(45)57)40(64)51-28(17-33(46)58)41(65)52-30(20-69)36(60)37(61)31-7-6-14-55(31)54-29(15-21(2)3)39(63)48-18-34(47)59/h8-11,21-22,25-31,35,54,56,68-69H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,63)(H,49,67)(H,50,62)(H,51,64)(H,52,65)(H,53,66)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1

Technical Data