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Substance Name: Oxytocin, penicillamyl(1)-leu(4)-
RN: 57203-07-3
InChIKey: IZFPNFFNWBZWMG-HHROLHKNSA-N

Molecular Weight

  • 1020.28
 
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Names and Synonyms

Name of Substance

  • Oxytocin, penicillamyl(1)-leu(4)-

Synonyms

  • 1-Penicillamyl-4-leu-oxytocin
  • Oxpleu
  • Oxytocin, penicillamyl(1)-leucine(4)-

Systematic Name

  • Oxytocin, 1-(3-mercapto-L-valine)-4-L-leucine-

Registry Numbers

CAS Registry Number

  • 57203-07-3

System Generated Number

  • 0057203073

Structure Descriptors

InChI

1S/C46H73N11O11S2/c1-9-25(6)36-43(66)53-29(18-24(4)5)39(62)51-31(20-34(47)59)40(63)55-32(45(68)57-16-10-11-33(57)42(65)52-28(17-23(2)3)38(61)50-21-35(48)60)22-69-70-46(7,8)37(49)44(67)54-30(41(64)56-36)19-26-12-14-27(58)15-13-26/h12-15,23-25,28-33,36-37,58H,9-11,16-22,49H2,1-8H3,(H2,47,59)(H2,48,60)(H,50,61)(H,51,62)(H,52,65)(H,53,66)(H,54,67)(H,55,63)(H,56,64)/t25-,28-,29-,30-,31-,32-,33?,36?,37+/m0/s1

InChIKey

IZFPNFFNWBZWMG-HHROLHKNSA-N

Smiles

NC(=O)CNC([C@@H](NC(=O)[C@@H]1N(CCC1)C([C@H]1NC([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC(=O)[C@H](C(SSC1)(C)C)N)Cc1ccc(cc1)O)=O)[C@H](CC)C)CC(C)C)CC(N)=O)=O)=O)CC(C)C)=O