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Substance Name: Somatostatin, pro(2)-met(13)-
RN: 145038-23-9
InChIKey: UGHCIZOZFGPXEZ-MUYMQMCLSA-N

Molecular Formula

  • C81-H114-N18-O18-S3

Molecular Weight

  • 1724.0976
 
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Names and Synonyms

Name of Substance

  • Somatostatin, pro(2)-met(13)-

Synonyms

  • 2-L-Proline-13-L-methioninesomatostatin (sheep reduced)
  • 2-Pro-13-met-somatostatin
  • Somatostatin, prolyl(2)-methionyl(13)-

Systematic Name

  • Somatostatin (sheep reduced), 2-L-proline-13-L-methionine-

Registry Numbers

CAS Registry Number

  • 145038-23-9

System Generated Number

  • 0145038239

Structure Descriptors

InChI

1S/C81H114N18O18S3/c1-45(84)80(115)99-35-20-31-64(99)77(112)95-62(43-118)76(111)88-54(29-16-18-33-82)68(103)93-61(41-65(85)102)74(109)91-57(37-48-21-8-5-9-22-48)71(106)90-58(38-49-23-10-6-11-24-49)72(107)92-60(40-51-42-86-53-28-15-14-27-52(51)53)73(108)87-55(30-17-19-34-83)70(105)97-67(47(3)101)79(114)94-59(39-50-25-12-7-13-26-50)75(110)98-66(46(2)100)78(113)89-56(32-36-120-4)69(104)96-63(44-119)81(116)117/h5-15,21-28,42,45-47,54-64,66-67,86,100-101,118-119H,16-20,29-41,43-44,82-84H2,1-4H3,(H2,85,102)(H,87,108)(H,88,111)(H,89,113)(H,90,106)(H,91,109)(H,92,107)(H,93,103)(H,94,114)(H,95,112)(H,96,104)(H,97,105)(H,98,110)(H,116,117)/t45-,46+,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-/m0/s1

InChIKey

UGHCIZOZFGPXEZ-MUYMQMCLSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)N)O