Products 914453-95-5
CAS 914453-95-5 appears in our catalog under these names: Atosiban acetate, 95%, Atosiban Acetate, >95% (HPLC), Atosiban acetate, Atosiban acetate, min. 95 %, 25 mg, Atosiban acetate, min. 95 %, 50 mg. Offered by: Combi-blocks, TRC, GLPBio, Roth, Chemat Brand. Available pack sizes: 100mg, 250mg, 25mg, 5mg, 50mg, on request, 10mg, 500mg.
Acetic 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 (CAS 914453-95-5) is a chemical compound with the molecular formula C45H71N11O14S2 and a molecular weight of 1054.2 g/mol. IUPAC name: acetic 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. InChIKey: SVDWBHHCPXTODI-QIWYXCRTSA-N.
| Molecular formula | C45H71N11O14S2 |
|---|---|
| Molecular weight | 1054.2 g/mol |
| IUPAC name | acetic 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 |
| InChIKey | SVDWBHHCPXTODI-QIWYXCRTSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=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)N)CC(=O)N)[C@@H](C)O.CC(=O)O |
Computed by PubChem (NCBI)