Analyte Name

Desmopressin S-sulfoxide Mixture

Molecular Formula

C46H64N14O13S2

Molecular Weight

1085.22

Accurate Mass

1084.42

SMILES

O=C(NC(CC(N)=O)C1=O)C(CCC(N)=O)NC(C(CC2=CC=CC=C2)NC(C(CC3=CC=C(O)C=C3)NC(CCS(SCC(C(N4C(C(NC(CCC/N=C(N)\N)C(NCC(N)=O)=O)=O)CCC4)=O)N1)=O)=O)=O)=O.O=C(NC(CC(N)=O)C5=O)C(CCC(N)=O)NC(C(CC6=CC=CC=C6)NC(C(CC7=CC=C(O)C=C7)NC(CCSS(CC(C(N8C(C(NC(CCC/N=C(N)\N)C(NCC(N)=O)=O)=O)CCC8)=O)N5)=O)=O)=O)=O

InChI

InChI=1S/2C46H64N14O13S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-75(73)19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-75(73)74-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h2*1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)

IUPAC

1-(7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-1-oxido-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide+1-(7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-2-oxido-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-5-((diaminomethylene)amino)-1-oxopentan-2-yl)pyrrolidine-2-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat