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Substance Name: Oxytocin, 7-(azetidine-2-carboxylic acid)-
RN: 72302-74-0
InChIKey: YUKOFUHRYRGHMJ-QMWVNPSLSA-N

Molecular Weight

  • 993.172
 
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Names and Synonyms

Name of Substance

  • Oxytocin, 7-(azetidine-2-carboxylic acid)-

Synonym

  • 7-(Azetidine-2-carboxylic acid)oxytocin

Systematic Name

  • Oxytocin, 7-L-2-azetidinecarboxylic acid-

Registry Numbers

CAS Registry Number

  • 72302-74-0

System Generated Number

  • 0072302740

Structure Descriptors

InChI

1S/C42H64N12O12S2/c1-5-21(4)34-41(65)48-25(10-11-31(44)56)37(61)50-28(16-32(45)57)38(62)52-29(42(66)54-13-12-30(54)40(64)51-26(14-20(2)3)36(60)47-17-33(46)58)19-68-67-18-24(43)35(59)49-27(39(63)53-34)15-22-6-8-23(55)9-7-22/h6-9,20-21,24-30,34,55H,5,10-19,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,65)(H,49,59)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t21-,24-,25-,26-,27-,28-,29-,30-,34?/m0/s1

InChIKey

YUKOFUHRYRGHMJ-QMWVNPSLSA-N

Smiles

C(=O)([C@@H](NC([C@H]1N(CC1)C([C@@H]1CSSC[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C(N1)=O)=O)=O)[C@@H](C)CC)=O)Cc1ccc(cc1)O)=O)N)=O)=O)CC(C)C)NCC(N)=O