[Gly9-OH]-Atosiban

cas: 168102-69-0 — see every product listed under this CAS number, including other names

[Gly9-OH]-Atosiban (CAS 168102-69-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas168102-69-0
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Structural formula: {0} (CAS {1})

2-[[(2S)-5-amino-2-[[(2S)-1-[(4R,7S,10S,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-carbonyl]amino]pentanoyl]amino]acetic acid;2,2,2-trifluoroacetic acid (CAS 168102-69-0) is a chemical compound with the molecular formula C45H67F3N10O15S2 and a molecular weight of 1109.2 g/mol. IUPAC name: 2-[[(2S)-5-amino-2-[[(2S)-1-[(4R,7S,10S,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-carbonyl]amino]pentanoyl]amino]acetic acid;2,2,2-trifluoroacetic acid. InChIKey: HPDVZIVGNINVNA-XULXJPONSA-N.

Identity
Molecular formulaC45H67F3N10O15S2
Molecular weight1109.2 g/mol
IUPAC name2-[[(2S)-5-amino-2-[[(2S)-1-[(4R,7S,10S,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-carbonyl]amino]pentanoyl]amino]acetic acid;2,2,2-trifluoroacetic acid
InChIKeyHPDVZIVGNINVNA-XULXJPONSA-N
SMILESCC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)O)CC(=O)N)[C@@H](C)O.C(=O)(C(F)(F)F)O

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