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Substance Name: Oxytocin, (1-(2-hydroxy-3-mercaptopropionic acid))-thr(4)-gly(7)-
RN: 60786-60-9
InChIKey: KVZBHNHUSFUWMO-IKNHWLCZSA-N

Molecular Formula

  • C39-H60-N10-O13-S2

Molecular Weight

  • 941.092
 
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Names and Synonyms

Name of Substance

  • Oxytocin, (1-(2-hydroxy-3-mercaptopropionic acid))-thr(4)-gly(7)-

Synonyms

  • (1-(2-Hydroxy-3-mercaptopropionic acid))-4-thr-7-gly-oxytocin
  • Hmpa-thr(4)-gly(7)-oxytocin
  • Oxytocin, (1-(2-hydroxy-3-mercaptopropionic acid))-threonyl(4)-glycine(7)-

Systematic Name

  • Oxytocin, 1-(2-hydroxy-3-mercaptopropanoic acid)-4-L-threonine-7-glycine-, (R)-

Registry Numbers

CAS Registry Number

  • 60786-60-9

System Generated Number

  • 0060786609

Structure Descriptors

InChI

1S/C39H60N10O13S2/c1-6-19(4)31-38(61)49-32(20(5)50)39(62)46-25(13-28(40)53)35(58)47-26(34(57)43-15-30(55)44-23(11-18(2)3)33(56)42-14-29(41)54)16-63-64-17-27(52)37(60)45-24(36(59)48-31)12-21-7-9-22(51)10-8-21/h7-10,18-20,23-27,31-32,50-52H,6,11-17H2,1-5H3,(H2,40,53)(H2,41,54)(H,42,56)(H,43,57)(H,44,55)(H,45,60)(H,46,62)(H,47,58)(H,48,59)(H,49,61)/t19-,20+,23-,24-,25-,26-,27-,31-,32-/m0/s1

InChIKey

KVZBHNHUSFUWMO-IKNHWLCZSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](O)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N