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Substance Name: Somatostatin, N-tyr(1)-
RN: 59481-23-1
InChIKey: HKWVRZAGMOSZAK-QHJNDZJOSA-N

Molecular Formula

  • C82-H108-N18-O20-S2

Molecular Weight

  • 1729.99
 
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Names and Synonyms

Name of Substance

  • Somatostatin, N-tyr(1)-

Synonyms

  • 1-N-Tyr-somatostatin
  • 1-N-Tyrosine-somatostatin
  • Somatostatin 14, tyr(0)-D-trp(8)-
  • Somatostatin 14, tyr(1)-
  • Somatostatin 14, tyrosyl(0)-D-tryptophan(8)-
  • Somatostatin, N-tyrosine(1)-
  • Tyr(1)-somatostain 14
  • Tyr-8-trp-somatostatin 14

Systematic Name

  • 1-L-Tyrosinesomatostatin (sheep)

Registry Numbers

CAS Registry Number

  • 59481-23-1

System Generated Number

  • 0059481231

Structure Descriptors

InChI

1S/C82H108N18O20S2/c1-45(102)68-80(117)96-60(37-49-22-10-5-11-23-49)77(114)100-69(46(2)103)81(118)97-63(42-101)78(115)98-65(82(119)120)44-122-121-43-64(89-67(106)41-87-70(107)54(85)34-50-28-30-53(104)31-29-50)79(116)91-56(26-14-16-32-83)71(108)95-62(40-66(86)105)76(113)93-58(35-47-18-6-3-7-19-47)73(110)92-59(36-48-20-8-4-9-21-48)74(111)94-61(39-52-38-51-24-12-13-25-55(51)88-52)75(112)90-57(72(109)99-68)27-15-17-33-84/h3-13,18-25,28-31,38,45-46,54,56-65,68-69,88,101-104H,14-17,26-27,32-37,39-44,83-85H2,1-2H3,(H2,86,105)(H,87,107)(H,89,106)(H,90,112)(H,91,116)(H,92,110)(H,93,113)(H,94,111)(H,95,108)(H,96,117)(H,97,118)(H,98,115)(H,99,109)(H,100,114)(H,119,120)/t45-,46-,54+,56+,57-,58?,59+,60-,61+,62+,63+,64-,65?,68?,69?/m1/s1

InChIKey

HKWVRZAGMOSZAK-QHJNDZJOSA-N

Smiles

N1[C@@H](C(N[C@H](C(N[C@@H](Cc2cc3ccccc3[nH]2)C(N[C@H](CCCCN)C(=O)N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@@H](CSSC[C@H](C(=O)N[C@H](C(N[C@H](C1=O)CC(N)=O)=O)CCCCN)NC(=O)CNC([C@H](Cc1ccc(cc1)O)N)=O)C(=O)O)=O)CO)=O)[C@@H](C)O)=O)Cc1ccccc1)=O)[C@H](O)C)=O)=O)Cc1ccccc1)=O)Cc1ccccc1