Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Somatostatin (sheep reduced), 1-de-l-alanine-2-deglycine-3-de-l-cysteine-4-(N2-((1,1-dimethylethoxy)carbonyl)-N6-((2-(methylsulfonyl)ethoxy)carbonyl)-l-lysine)-9-(N6-((2-(methylsulfonyl)ethoxy)carbonyl)-l-lysine)-14-(S-((acetylamino)methyl)-l-cysteine)-, 2-(((4-(phenylazo)phenyl)methyl)sulfonyl)ethyl ester
RN: 76408-86-1
InChIKey: RHBKEPUXCOBGHM-WJIYZXDUSA-N

Molecular Formula

  • C99-H132-N18-O29-S4

Molecular Weight

  • 2166.4928
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 278-454-6

Systematic Name

  • Somatostatin (sheep reduced), 1-de-l-alanine-2-deglycine-3-de-l-cysteine-4-(N2-((1,1-dimethylethoxy)carbonyl)-N6-((2-(methylsulfonyl)ethoxy)carbonyl)-l-lysine)-9-(N6-((2-(methylsulfonyl)ethoxy)carbonyl)-l-lysine)-14-(S-((acetylamino)methyl)-l-cysteine)-, 2-(((4-(phenylazo)phenyl)methyl)sulfonyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 76408-86-1

System Generated Number

  • 0076408861

Structure Descriptors

InChI

1S/C99H132N18O29S4/c1-61(119)83(93(131)110-77(53-66-31-17-11-18-32-66)91(129)115-84(62(2)120)94(132)111-80(57-118)92(130)112-81(58-147-60-104-63(3)121)95(133)143-47-50-150(141,142)59-67-39-41-70(42-40-67)117-116-69-33-19-12-20-34-69)114-86(124)73(37-23-25-43-101-96(134)144-45-48-148(7,137)138)105-89(127)78(54-68-56-103-72-36-22-21-35-71(68)72)108-88(126)76(52-65-29-15-10-16-30-65)106-87(125)75(51-64-27-13-9-14-28-64)107-90(128)79(55-82(100)122)109-85(123)74(113-98(136)146-99(4,5)6)38-24-26-44-102-97(135)145-46-49-149(8,139)140/h9-22,27-36,39-42,56,61-62,73-81,83-84,103,118-120H,23-26,37-38,43-55,57-60H2,1-8H3,(H2,100,122)(H,101,134)(H,102,135)(H,104,121)(H,105,127)(H,106,125)(H,107,128)(H,108,126)(H,109,123)(H,110,131)(H,111,132)(H,112,130)(H,113,136)(H,114,124)(H,115,129)/b117-116+/t61-,62-,73+,74-,75+,76+,77+,78+,79+,80+,81+,83+,84+/m1/s1

InChIKey

RHBKEPUXCOBGHM-WJIYZXDUSA-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](CO)C(=O)N[C@@H](CSCNC(=O)C)C(=O)OCCS(=O)(=O)Cc2ccc(cc2)/N=N/c3ccccc3)NC(=O)[C@H](CCCCNC(=O)OCCS(=O)(=O)C)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)NC(=O)OC(C)(C)C)O