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Desmopressin Acetate

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For Research Use Only | Not For Clinical Use
CATAPS62288839
CAS62288-83-9
Structure
SynonymsVasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-, monoacetate (salt) (9CI), Octostim, Minirine, Emosint, 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane, cyclic peptide deriv., 1-(3-Mercaptopropionic acid)-8-D-arginine vasopressin monoacetate, Stimate, Desmopressin acetate
IUPAC Nameacetic acid;(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-carbamimidamido-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular Weight1129.27
Molecular FormulaC46H64N14O12S2.C2H4O2
Canonical SMILESCC(=O)O.NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N
InChIInChI=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
Accurate Mass1128.4481
FormatNeat
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