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Substance Name: Oxytocin, 2-L-dopa-
RN: 59845-47-5
InChIKey: RFGZCPSUVUTJFB-SAFLANMPSA-N

Molecular Weight

  • 1023.2
 
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Names and Synonyms

Name of Substance

  • Oxytocin, 2-L-dopa-

Synonym

  • 2-L-Dopa-oxytocin

Systematic Name

  • Oxytocin, 2-(3-hydroxy-L-tyrosine)-

Registry Numbers

CAS Registry Number

  • 59845-47-5

System Generated Number

  • 0059845475

Structure Descriptors

InChI

1S/C43H66N12O13S2/c1-5-21(4)35-42(67)49-24(9-11-32(45)58)38(63)51-27(16-33(46)59)39(64)53-28(43(68)55-12-6-7-29(55)41(66)52-25(13-20(2)3)37(62)48-17-34(47)60)19-70-69-18-23(44)36(61)50-26(40(65)54-35)14-22-8-10-30(56)31(57)15-22/h8,10,15,20-21,23-29,35,56-57H,5-7,9,11-14,16-19,44H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,62)(H,49,67)(H,50,61)(H,51,63)(H,52,66)(H,53,64)(H,54,65)/t21-,23-,24-,25-,26-,27-,28-,29?,35?/m0/s1

InChIKey

RFGZCPSUVUTJFB-SAFLANMPSA-N

Smiles

N[C@H]1CSSC[C@H](NC([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC1=O)Cc1cc(c(cc1)O)O)=O)[C@H](CC)C)CCC(N)=O)CC(N)=O)=O)C(N1[C@@H](CCC1)C(N[C@@H](CC(C)C)C(=O)NCC(N)=O)=O)=O