Glu4-Oxytocin

cas: 4314-67-4 — see every product listed under this CAS number, including other names

Glu4-Oxytocin (CAS 4314-67-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-O242013
cas4314-67-4
sizeon request
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Structural formula: {0} (CAS {1})

3-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanoic acid (CAS 4314-67-4) is a chemical compound with the molecular formula C43H65N11O13S2 and a molecular weight of 1008.2 g/mol. IUPAC name: 3-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanoic acid. InChIKey: ANHHFWYHJRAVNA-OMTOYRQASA-N.

Identity
Molecular formulaC43H65N11O13S2
Molecular weight1008.2 g/mol
IUPAC name3-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanoic acid
InChIKeyANHHFWYHJRAVNA-OMTOYRQASA-N
SMILESCC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)O

Computed by PubChem (NCBI)

Synonyms: Oxytocin, glu(4)-, 4-Glu-oxytocin, Oxytocin, glutamic acid(4)-, Oxytocin, 4-L-glutamic acid-, Glu4-Oxytocin, Oxytocin, 4-L-glutamicacid- (8CI,9CI), Oxytocin Impurity 2;<br>[Glu4]-Oxytocin;<br>Oxytocin EP Impurity C
Isomers (same molecular formula)
2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetic acid C43H65N11O13S2
2-[(4R,7S,10S,16S,19R)-19-amino-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-7-yl]acetic acid C43H65N11O13S2

Also listed as

[GLU]4-OXYTOCIN Sigma-Aldrich CAS 4314-67-4
(Glu4)–Oxytocin GLPBio CAS 4314-67-4
[Glu4]-Oxytocin, 98.21% MedChemExpress CAS 4314-67-4