beta-mercaptopropionic acid(1)-cyclo(glutamyl(4)-lysyl(8))-Oxytocin
[CAS# 125666-62-8]

Identification

• Name: beta-mercaptopropionic acid(1)-cyclo(glutamyl(4)-lysyl(8))-Oxytocin
• Synonyms: Oxytocin, 1-(3-Mercaptopropanoic Acid)-4-L-Glutamic Acid-8-L-Lysine-, Cyclic(4-8)-Peptide; Oxytocin, Beta Mercaptopropionic Acid(1)-Cyclo(Glutamyl(4)-Lysyl(8))-; Oxytocin, Mpa(1)-Cyclo(Glu(4)-Lys(8))-
• Molecular Formula: C₄₃H₆₃N₁₁O₁₂S₂
• Molecular Weight: 990.16
• CAS Registry Number: 125666-62-8
• SMILES: [C@@H]3(NC(=O)C4N(C(=O)C1NC(=O)[C@@H](NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCSSC1)CC2=CC=C(O)C=C2)[C@H](CC)C)CC(=O)NCCCC3)CC(=O)N)CCC4)C(=O)NCC(=O)N
• InChI: 1S/C43H63N11O12S2/c1-3-23(2)36-42(65)47-20-25-18-35(59)46-14-5-4-7-27(38(61)48-21-33(45)57)50-41(64)31-8-6-15-54(31)43(66)30(52-39(62)29(19-32(44)56)51-37(25)60)22-68-67-16-13-34(58)49-28(40(63)53-36)17-24-9-11-26(55)12-10-24/h9-12,23,25,27-31,36,55H,3-8,13-22H2,1-2H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,65)(H,48,61)(H,49,58)(H,50,64)(H,51,60)(H,52,62)(H,53,63)/t23-,25?,27-,28-,29-,30?,31?,36-/m0/s1
• InChIKey: LFKZJWPKJWLCPZ-RROUQNFWSA-N