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Substance Name: Bim 23003
RN: 135048-17-8
InChIKey: JRDHCFFAIXFICQ-ZHEHHDPESA-N

Molecular Weight

  • 1586.25
 
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Names and Synonyms

Name of Substance

  • Bim 23003

Synonyms

  • AC-6-(4-Cl-Phe)-8-trp-somatostatin (3-14)
  • Bim-23003
  • BM 2-28
  • Somatostatin (3-14), Ac-(4-Cl-phe)(6)-trp(8)-
  • Somatostatin (3-14), acetyl-4-chloro-phenylalanyl(6)-tryptophan(8)-

Systematic Name

  • Somatostatin (sheep), 1-de-L-alanine-2-deglycine-3-(N-acetyl-L-cysteine)-6-(4-chloro-L-phenylalanine)-8-D-tryptophan-

Registry Numbers

CAS Registry Number

  • 135048-17-8

System Generated Number

  • 0135048178

Structure Descriptors

InChI

1S/C73H97ClN16O18S2/c1-39(92)60-71(105)86-53(31-43-18-8-5-9-19-43)68(102)90-61(40(2)93)72(106)87-56(36-91)69(103)88-58(73(107)108)38-110-109-37-57(79-41(3)94)70(104)81-49(22-12-14-28-75)62(96)85-55(34-59(77)95)67(101)83-52(32-44-24-26-46(74)27-25-44)64(98)82-51(30-42-16-6-4-7-17-42)65(99)84-54(33-45-35-78-48-21-11-10-20-47(45)48)66(100)80-50(63(97)89-60)23-13-15-29-76/h4-11,16-21,24-27,35,39-40,49-58,60-61,78,91-93H,12-15,22-23,28-34,36-38,75-76H2,1-3H3,(H2,77,95)(H,79,94)(H,80,100)(H,81,104)(H,82,98)(H,83,101)(H,84,99)(H,85,96)(H,86,105)(H,87,106)(H,88,103)(H,89,97)(H,90,102)(H,107,108)/t39-,40-,49+,50+,51+,52+,53+,54-,55+,56+,57+,58+,60?,61?/m1/s1

InChIKey

JRDHCFFAIXFICQ-ZHEHHDPESA-N

Smiles

N1C([C@@H]([C@@H](C)O)NC([C@@H](NC([C@@H]([C@@H](C)O)NC([C@H](CCCCN)NC([C@@H](Cc2c[nH]c3ccccc23)NC([C@H](Cc2ccccc2)NC([C@H](Cc2ccc(cc2)Cl)NC(=O)[C@@H](NC([C@@H](NC(=O)[C@H](CSSC[C@H](NC([C@@H]1CO)=O)C(O)=O)NC(C)=O)CCCCN)=O)CC(N)=O)=O)=O)=O)=O)=O)Cc1ccccc1)=O)=O