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Substance Name: Somatostatin, ala(3,14)-
RN: 50997-12-1
InChIKey: XDIIBQOJHBKGKP-BTUYZGBBSA-N

Molecular Formula

  • C76-H106-N18-O19

Molecular Weight

  • 1575.7804
 
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Names and Synonyms

Name of Substance

  • Somatostatin, ala(3,14)-

Synonyms

  • 3,14-Ala-somatostatin
  • 3,14-Ala-srih
  • 3,14-Alanine somatostatin
  • 3,14-Alanine-somatostatin
  • Somatostatin, alanine(3,14)-

Systematic Name

  • Somatostatin (sheep reduced), 3-L-alanine-14-L-alanine-

Registry Numbers

CAS Registry Number

  • 50997-12-1

System Generated Number

  • 0050997121

Structure Descriptors

InChI

1S/C76H106N18O19/c1-41(79)64(100)82-39-61(99)83-42(2)65(101)85-52(29-17-19-31-77)66(102)90-58(37-60(80)98)71(107)88-54(33-46-21-9-6-10-22-46)68(104)87-55(34-47-23-11-7-12-24-47)69(105)89-57(36-49-38-81-51-28-16-15-27-50(49)51)70(106)86-53(30-18-20-32-78)67(103)93-62(44(4)96)74(110)91-56(35-48-25-13-8-14-26-48)72(108)94-63(45(5)97)75(111)92-59(40-95)73(109)84-43(3)76(112)113/h6-16,21-28,38,41-45,52-59,62-63,81,95-97H,17-20,29-37,39-40,77-79H2,1-5H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,109)(H,85,101)(H,86,106)(H,87,104)(H,88,107)(H,89,105)(H,90,102)(H,91,110)(H,92,111)(H,93,103)(H,94,108)(H,112,113)/t41-,42-,43-,44+,45+,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1

InChIKey

XDIIBQOJHBKGKP-BTUYZGBBSA-N

Smiles

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)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](C)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O