Products 37025-55-1

CAS 37025-55-1 appears in our catalog under these names: 1-Butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin, Carbetocin, 98%, Carbetocin, Carbetocin, >95% (HPLC), Glycinamide, N-(4-mercapto-1-oxobutyl)-O-methyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucyl-, cyclic (1→5)-thioether, 95%, 95%. Offered by: Biosynth, Chemat Brand, Creative Peptides, TRC, Dr. Ehrenstorfer. Available pack sizes: 10mg, 25mg, 50mg, 100mg, on request, 5mg, 10 mg, 50 mg.

Structural formula: {0} (CAS {1})

Carbetocin is oxytocin in which the hydrogen on the phenolic hydroxy group is substituted by methyl, the amino group on the cysteine residue is substituted by hydrogen, and the sulfur of the cysteine residue is replaced by a methylene group. A synthetic carba-analogue of oxytocin, it is used to control bleeding after giving birth. Like oxytocin, it causes contraction of the uterus. It has a role as an oxytocic.

Source: ChEBI

Identity
Molecular formulaC45H69N11O12S
Molecular weight988.2 g/mol
IUPAC name(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
InChIKeyNSTRIRCPWQHTIA-DTRKZRJBSA-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

Computed by PubChem (NCBI)