Carbetocin Acetate

cas: 1631754-28-3 — see every product listed under this CAS number, including other names

Carbetocin Acetate (CAS 1631754-28-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Creative Peptides.

brandCreative Peptides
catalog numberCP-10-101-42
cas1631754-28-3
sizeon request
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Structural formula: {0} (CAS {1})

Acetic acid;(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide (CAS 1631754-28-3) is a chemical compound with the molecular formula C47H73N11O14S and a molecular weight of 1048.2 g/mol. IUPAC name: acetic acid;(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide. InChIKey: AWSBRHKQUFVWPU-AJDWMHSWSA-N.

Identity
Molecular formulaC47H73N11O14S
Molecular weight1048.2 g/mol
IUPAC nameacetic acid;(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide
InChIKeyAWSBRHKQUFVWPU-AJDWMHSWSA-N
SMILESCC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N.CC(=O)O

Computed by PubChem (NCBI)

Synonyms: Carbetocin acetate, Carbetocin (acetate), Carbetocin acetate(37025-55-1 free base), orb1218685, orb1299670
Related forms of this compound
acetic acid;(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide C47H73N11O14S

Also listed as

Carbetocin (acetate) GLPBio CAS 1631754-28-3
Carbetocin acetate/ 99.22% (existing batch purity) TargetMol CAS 1631754-28-3
Carbetocin (acetate) Biosynth CAS 1631754-28-3
Carbetocin (acetate), 99.56% MedChemExpress CAS 1631754-28-3