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%

cas: 37025-55-1 — see every product listed under this CAS number, including other names

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% (CAS 37025-55-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 50mg, 100mg. Offered by: Chemat.

• 2D
• 3D

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 formula	C45H69N11O12S
Molecular weight	988.2 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
InChIKey	NSTRIRCPWQHTIA-DTRKZRJBSA-N
SMILES	CC[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)

Synonyms: Carbetocin, Pabal, Carbetocino, Carbetocinum, Duratocin, carbetocine, Carbetocina, deamino-2-O-methyltyrosine-1-carbaoxytocin, 1-butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin, 1-Butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin

Related forms of this compound

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6R,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 C₄₅H₆₉N₁₁O₁₂S