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Substance Name: (2-O-Methyltyrosine)oxytocin
RN: 2706-70-9
UNII: 4R26ER91Q8
InChIKey: WCTCYQXADOLLKF-CKNUHMDMSA-N

Molecular Formula

  • C44-H68-N12-O12-S2

Molecular Weight

  • 1021.2252
 
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Names and Synonyms

Name of Substance

  • (2-O-Methyltyrosine)oxytocin

Synonyms

  • EINECS 220-297-2
  • UNII-4R26ER91Q8

Systematic Name

  • Oxytocin, 2-(O-methyl-l-tyrosine)-

Registry Numbers

CAS Registry Number

  • 2706-70-9

FDA UNII

  • 4R26ER91Q8

System Generated Number

  • 0002706709

Structure Descriptors

InChI

1S/C44H68N12O12S2/c1-6-23(4)36-43(66)50-27(13-14-33(46)57)39(62)52-30(18-34(47)58)40(63)54-31(44(67)56-15-7-8-32(56)42(65)53-28(16-22(2)3)38(61)49-19-35(48)59)21-70-69-20-26(45)37(60)51-29(41(64)55-36)17-24-9-11-25(68-5)12-10-24/h9-12,22-23,26-32,36H,6-8,13-21,45H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,66)(H,51,60)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1

InChIKey

WCTCYQXADOLLKF-CKNUHMDMSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N