Atosiban

Monograph ID
M2126
Title
Atosiban
UNII
081D12SI0Z
Molecular formula
C43H67N11O12S2
Molecular weight
994.19
Percent composition
C 51.95%, H 6.79%, N 15.50%, O 19.31%, S 6.45%
Standard InChI
InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
Standard InChIKey
VWXRQYYUEIYXCZ-OBIMUBPZSA-N

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