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Substance Name: Oxytocinoic acid dimethylamide
RN: 73631-36-4
InChIKey: JQKQPWXVFJENAN-DWFTWNDCSA-N

Molecular Weight

  • 1035.25
 
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Names and Synonyms

Name of Substance

  • Oxytocinoic acid dimethylamide

Systematic Name

  • Oxytocin, 9-(N,N-dimethylglycinamide)-

Registry Numbers

CAS Registry Number

  • 73631-36-4

System Generated Number

  • 0073631364

Structure Descriptors

InChI

1S/C45H70N12O12S2/c1-7-24(4)37-44(68)50-28(14-15-34(47)59)40(64)52-31(19-35(48)60)41(65)54-32(22-71-70-21-27(46)38(62)51-30(42(66)55-37)18-25-10-12-26(58)13-11-25)45(69)57-16-8-9-33(57)43(67)53-29(17-23(2)3)39(63)49-20-36(61)56(5)6/h10-13,23-24,27-33,37,58H,7-9,14-22,46H2,1-6H3,(H2,47,59)(H2,48,60)(H,49,63)(H,50,68)(H,51,62)(H,52,64)(H,53,67)(H,54,65)(H,55,66)/t24-,27-,28-,29-,30-,31-,32-,33?,37?/m0/s1

InChIKey

JQKQPWXVFJENAN-DWFTWNDCSA-N

Smiles

N(C(=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](CSSC1)N)Cc1ccc(cc1)O)=O)[C@H](CC)C)CCC(N)=O)CC(N)=O)=O)=O)CC(C)C)=O)(C)C