1-alpha-Mercaptoacetic Acid-5-Iso-Asn-Oxytocin
[CAS# 74221-74-2]

Identification

• Name: 1-alpha-Mercaptoacetic Acid-5-Iso-Asn-Oxytocin
• Synonyms: Maiaspo; Oxmia; Oxytocin, 1-(Mercaptoacetic Acid)-5-L-Alpha-Asparagine-
• Molecular Formula: C₄₂H₆₃N₁₁O₁₂S₂
• Molecular Weight: 978.15
• CAS Registry Number: 74221-74-2
• SMILES: [C@H](NC(=O)C)(CC13SC1=C2SC2(O)C=C3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)CCC4)C)CC(=O)N)CCC(=O)N)[C@H](CC)C
• InChI: 1S/C42H63N11O12S2/c1-7-20(4)31(52-37(61)26(48-22(6)54)17-41-12-13-42(65)33(67-42)32(41)66-41)39(63)49-23(10-11-28(43)55)35(59)50-25(16-29(44)56)36(60)47-21(5)40(64)53-14-8-9-27(53)38(62)51-24(15-19(2)3)34(58)46-18-30(45)57/h12-13,19-21,23-27,31,65H,7-11,14-18H2,1-6H3,(H2,43,55)(H2,44,56)(H2,45,57)(H,46,58)(H,47,60)(H,48,54)(H,49,63)(H,50,59)(H,51,62)(H,52,61)/t20-,21-,23-,24-,25-,26-,27-,31-,41?,42?/m0/s1
• InChIKey: PACWNYQRLABRFV-QTEKYROGSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 1514.608°C at 760 mmHg (Cal.)
• Flash point: 869.803°C (Cal.)