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Substance Name: Oxytocin, -1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)-Phe(Me)(2)-Thr(4)-Orn(8)-
RN: 110220-69-4
InChIKey: BBVOEYWBXSEVSR-MIOBVDQASA-N

Molecular Weight

  • 1007.242
 
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Names and Synonyms

Name of Substance

  • Oxytocin, -1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)-Phe(Me)(2)-Thr(4)-Orn(8)-

Synonyms

  • 1(beta-Mercapto(beta,beta-cyclopentamethylene)propionic acid)-2-phe(Me)-4-thr-8-orn-oxytocin
  • Oxytocin, 1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)-methylphenylalanyl(2)-threonyl(4)-ornthine(8)-
  • Oxytocin, 1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)-phe(Me)(2)-thr(4)-orn(8)-
  • Ppto-OT

Registry Numbers

CAS Registry Number

  • 110220-69-4

System Generated Number

  • 0110220694

Structure Descriptors

InChI

1S/C44H70N12O11S2/c1-7-23(3)33-40(64)55-34(24(4)57)41(65)51-28(19-31(46)58)37(61)53-29(43(67)56-17-9-11-30(56)39(63)50-26(10-8-16-45)36(60)49-20-32(47)59)21-68-69-44(5,6)35(48)42(66)52-27(38(62)54-33)18-25-14-12-22(2)13-15-25/h12-15,23-24,26-30,33-35,57H,7-11,16-21,45,48H2,1-6H3,(H2,46,58)(H2,47,59)(H,49,60)(H,50,63)(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,64)/t23-,24+,26-,27-,28-,29-,30-,33?,34-,35-/m0/s1

InChIKey

BBVOEYWBXSEVSR-MIOBVDQASA-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)Cc2ccc(cc2)C)N)(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O