[Leu3]-Oxytocin

• CAT Number: I044205
• CAS Number: 4294-11-5
• Molecular Formula: C43H66N12O12S2
• Molecular Weight: 1007.19
• Purity: ≥95%
• Synonyms: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
• IUPAC Name: (2S)-1-[(7S,13S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
• InChI: InChI=1S/C43H66N12O12S2/c1-21(2)14-27(37(61)48-18-35(47)59)53-42(66)32-6-5-13-55(32)43(67)31-20-69-68-19-25(44)36(60)50-29(16-23-7-9-24(56)10-8-23)40(64)51-28(15-22(3)4)39(63)49-26(11-12-33(45)57)38(62)52-30(17-34(46)58)41(65)54-31/h7-10,21-22,25-32,56H,5-6,11-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,63)(H,50,60)(H,51,64)(H,52,62)(H,53,66)(H,54,65)/t25-,26?,27-,28-,29?,30-,31?,32-/m0/s1
• InChIKey: FRAJVCQUOFINCU-KXONMLRSSA-N
• SMILES: CC(C)C[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)NC(CSSC[C@@H](C(=O)NC(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)N

[Leu³]-Oxytocin（Cat No.:I044205）is an analog of the neuropeptide oxytocin in which the third amino acid, isoleucine, is substituted with leucine. This single-residue modification alters the peptide’s receptor binding and biological activity, making it a valuable tool in structure–activity relationship (SAR) studies of oxytocin and vasopressin receptors. [Leu³]-Oxytocin is commonly used in pharmacological research to investigate receptor selectivity, signal transduction, and behavioral effects. Its structural variation helps elucidate the role of individual residues in peptide-receptor interactions, contributing to the development of receptor-specific ligands with therapeutic potential.