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Atosiban Impurity D

SZ CAT No SZ-A088003
CAS No NA
Mol.F. C43H68N10O13S2
Mol.Wt. 997.2
Inv. Status Custom Synthesis


Chemical Name: N4-((2R)-1-((2S)-2-((5-amino-1-((2-amino-2-oxoethyl)amino)-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-mercapto-1-oxopropan-2-yl)-N2-((R)-3-(4-ethoxyphenyl)-2-(3-mercaptopropanamido)propanoyl)-L-isoleucyl-L-threonyl-L-asparagine

Smiles: SCCC(N[C@@H](C(N[C@]([C@@H](C)CC)([H])C(N[C@@](C(N[C@@H](CC(N[C@H](C(N1CCC[C@H]1C(NC(CCCN)C(NCC(N)=O)=O)=O)=O)CS)=O)C(O)=O)=O)([H])[C@H](O)C)=O)=O)CC2=CC=C(OCC)C=C2)=O

Inchi: InChI=1S/C43H69N11O12S2/c1-5-23(3)35(52-39(61)28(48-34(58)15-18-67)19-25-11-13-26(14-12-25)66-6-2)41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(22-68)43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57/h11-14,23-24,27-31,35-36,55,67-68H,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