Oxytocin Impurity 9

cas: 4248-64-0 — see every product listed under this CAS number, including other names

Oxytocin Impurity 9 (CAS 4248-64-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-O240909
cas4248-64-0
sizeon request
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Structural formula: {0} (CAS {1})

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 (CAS 4248-64-0) is a chemical compound with the molecular formula C43H65N11O13S2 and a molecular weight of 1008.2 g/mol. IUPAC name: 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. InChIKey: NFBCSRNZYJJWNB-OMTOYRQASA-N.

Identity
Molecular formulaC43H65N11O13S2
Molecular weight1008.2 g/mol
IUPAC name2-[[(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
InChIKeyNFBCSRNZYJJWNB-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)O)CC(=O)N)CCC(=O)N

Computed by PubChem (NCBI)

Synonyms: Oxytocin (free acid), H-CYIQNCPLG-OH, H-CYS-TYR-ILE-GLN-ASN-CYS-PRO-LEU-GLY-OH, Oxytocin (free acid) (H-Cys(1)-Tyr-Ile-Gln-Asn-Cys(1)-Pro-Leu-Gly-OH)
Isomers (same molecular formula)
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 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

Oxytocin (free acid) GLPBio CAS 4248-64-0
Oxytocin (free acid) Biosynth CAS 4248-64-0
Gly-OH9-Oxytocin Biosynth CAS 4248-64-0
Oxytocin free acid MedChemExpress CAS 4248-64-0
Oxytocin Impurity 5 Hubei YoungXin CAS 4248-64-0 (free base)