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Atosiban Acetate

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For Research Use Only | Not For Clinical Use
CATAPS914453955
CAS914453-95-5
Structure
SynonymsGlycinamide, O-ethyl-N-(3-mercapto-1-oxopropyl)-D-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithyl-, cyclic (1→5)-disulfide, acetate (1:1), Glycinamide, O-ethyl-N-(3-mercapto-1-oxopropyl)-D-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithyl-, cyclic (1→5)-disulfide, monoacetate (salt) (9CI), Atosiban acetate
IUPAC Nameacetic acid;(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular Weight1054.24
Molecular FormulaC43H67N11O12S2.C2H4O2
Canonical SMILESCCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)cc1.CC(=O)O
InChIInChI=1S/C43H67N11O12S2.C2H4O2/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
Accurate Mass1053.4623
FormatNeat
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS914453955-100MG 100MG Room Temperature +5°C API Family: Matrix - API Family Atosiban Acetate; Product Type: API; Subcategory: Mikromol, Additional pharmaceutical toxicology reference materials, API standards Inquiry
APS914453955-25MG 25MG Room Temperature 2-8°C Fridge/Coldroom Subcategory: Additional pharmaceutical toxicology reference materials Inquiry
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