Analyte Name

(D-Asn)-Desmopressin

Molecular Formula

C46H64N14O12S2 . x(C2H4O2)

Molecular Weight

1069.2

SMILES

O=C([C@H]1NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CCSSC1)=O)CC2=CC=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CCC(N)=O)=O)CC(N)=O)=O)N4[C@@H](CCC4)C(N[C@H](CCCNC(N)=N)C(NCC(N)=O)=O)=O

InChI

InChI=1S/C46H64N14O12S2.C2H4O2/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)24-74-73-19-16-38(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;1-2(3)4/h1-3,6-7,10-13,28-34,61H,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);1H3,(H,3,4)/t28-,29+,30+,31+,32+,33+,34+;/m1./s1

IUPAC

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

Alternate CAS Number

Desmopressin: 16679-58-6

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat