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Substance Name: Argipressin, thr(10)-ser(11)-ala(12)-
RN: 115820-14-9
InChIKey: RNONUHATTFUMGG-HNTDYGRUSA-N

Molecular Formula

  • C56-H82-N18-O17-S2

Molecular Weight

  • 1343.5048
 
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Names and Synonyms

Name of Substance

  • Argipressin, thr(10)-ser(11)-ala(12)-

Synonyms

  • 10-Thr-11-ser-12-ala-argipressin
  • Arginine vasopressin, thr(10)-ser(11)-ala(12)-
  • Argipressin, threonyl(10)-serinyl(11)-alanine(12)-

Systematic Name

  • Vasopressin, N-(N-(L-threonyl-L-seryl)-L-alanyl)-8-L-arginine-

Registry Numbers

CAS Registry Number

  • 115820-14-9

Other Registry Number

  • 115712-78-2

System Generated Number

  • 0115820149

Structure Descriptors

InChI

1S/C56H82N18O17S2/c1-27(65-51(87)37(24-75)71-54(90)44(60)28(2)76)45(81)72-38-25-92-93-26-39(55(91)74-19-7-11-40(74)53(89)67-32(10-6-18-63-56(61)62)46(82)64-23-43(59)80)73-50(86)36(22-42(58)79)70-47(83)33(16-17-41(57)78)66-48(84)34(20-29-8-4-3-5-9-29)68-49(85)35(69-52(38)88)21-30-12-14-31(77)15-13-30/h3-5,8-9,12-15,27-28,32-40,44,75-77H,6-7,10-11,16-26,60H2,1-2H3,(H2,57,78)(H2,58,79)(H2,59,80)(H,64,82)(H,65,87)(H,66,84)(H,67,89)(H,68,85)(H,69,88)(H,70,83)(H,71,90)(H,72,81)(H,73,86)(H4,61,62,63)/t27-,28+,32-,33-,34-,35-,36-,37-,38-,39-,40?,44-/m0/s1

InChIKey

RNONUHATTFUMGG-HNTDYGRUSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc2ccc(cc2)O)Cc3ccccc3)CCC(=O)N)CC(=O)N)C(=O)N4CCCC4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)N)O