[Asp5]-Oxytocin

• CAT Number: I044194
• CAS Number: 65907-78-0
• Molecular Formula: C43H65N11O13S2
• Molecular Weight: 1008.17
• Purity: ≥95%
• Synonyms: 2-[(4R,7S,10S,13S,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
• IUPAC Name: 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
• InChI: InChI=1S/C43H65N11O13S2/c1-5-22(4)35-42(66)48-26(12-13-32(45)56)38(62)50-29(17-34(58)59)39(63)52-30(20-69-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-33(46)57/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25-,26-,27-,28-,29-,30-,31-,35?/m0/s1
• InChIKey: BKQNCZBCEMVEEP-OMTOYRQASA-N
• SMILES: CC[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)O)CCC(=O)N

[Asp⁵]-Oxytocin（Cat No.:I044194）is an analog of the neuropeptide oxytocin in which the fifth amino acid, normally asparagine (Asn), is substituted with aspartic acid (Asp). This structural modification alters the peptide’s receptor binding characteristics and biological activity, potentially enhancing its stability or modifying its affinity for oxytocin and vasopressin receptors. Like native oxytocin, [Asp⁵]-Oxytocin is studied for its roles in social bonding, uterine contraction, and lactation. Researchers use this analog to explore oxytocin receptor selectivity, structure-activity relationships, and to develop therapeutic agents with improved pharmacokinetic profiles for neuropsychiatric or reproductive health applications.