Products 168102-69-0
CAS 168102-69-0 appears in our catalog under these names: Atosiban (free acid), [Gly9-OH]-Atosiban. Offered by: GLPBio, MedChemExpress. Available pack sizes: 25mg, Get quote.
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.
| Molecular formula | C45H67F3N10O15S2 |
|---|---|
| Molecular weight | 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 |
| SMILES | CC[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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