Products 1631754-28-3

CAS 1631754-28-3 appears in our catalog under these names: Carbetocin Acetate, Carbetocin (acetate), Carbetocin acetate/ 99.22% (existing batch purity), Carbetocin (acetate), Carbetocin (acetate), 99.56%. Offered by: Creative Peptides, GLPBio, TargetMol, Biosynth, Chemat. Available pack sizes: on request, 10mg, 25mg, 5mg, 50mg, 100mg, 1mg, 10 mg.

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)