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Substance Name: Somatostatin 28, leu(8)-trp(22)-iodo-tyr(25)-
RN: 81381-96-6
InChIKey: DNWOICFXGDPWDH-UDNLFYBJSA-N

Note

  • Somatostatin agonist.

Molecular Formula

  • C138-H208-I-N41-O40-S2

Molecular Weight

  • 3270.4448
 
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Names and Synonyms

Name of Substance

  • Somatostatin 28, leu(8)-trp(22)-iodo-tyr(25)-

Synonyms

  • 8-Leu-22-trp-25-iodo-tyr-somatostatin 28
  • 8-Leucyl-22-tryptophyl-25-iodotyrosine-somatostatin 28
  • L-Seryl-L-alanyl-L-asparaginyl-L-seryl-L-asparaginyl-L-propyl-L-alanyl-L-leucyl-L-alanyl-L-propyl-L-arginyl-L-alpha-glutamyl-L-arginyl-L-lysyl-L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-3-(iodo-125I)-L-tyrosyl-L-threonyl-L-seryl-L-cysteine cyclic(17-28)-disulfide
  • SLTIT
  • Somatostatin 28, leucyl(8)-tryptophyl(22)-iodotyrosine(25)-

Systematic Name

  • L-Cysteine, L-seryl-L-alanyl-L-asparaginyl-L-seryl-L-asparaginyl-L-propyl-L-alanyl-L-leucyl-L-alanyl-L-propyl-L-arginyl-L-alpha-glutamyl-L-arginyl-L-lysyl-L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-3-(iodo-125I)-L-tyrosyl-L-threonyl-L-seryl-, cyclic(17-28)-disulfide

Registry Numbers

CAS Registry Number

  • 81381-96-6

System Generated Number

  • 0081381966

Structure Descriptors

InChI

1S/C138H208IN41O40S2/c1-67(2)51-88(166-112(195)70(5)157-130(213)100-38-26-50-180(100)135(218)95(59-105(146)189)173-127(210)96(63-182)174-125(208)93(57-103(144)187)167-111(194)69(4)155-113(196)80(143)62-181)120(203)158-71(6)134(217)179-49-25-39-101(179)131(214)165-86(37-24-48-152-138(149)150)116(199)164-87(41-43-107(191)192)118(201)161-85(36-23-47-151-137(147)148)115(198)160-82(33-17-20-44-140)114(197)156-68(3)110(193)154-61-106(190)159-98-65-221-222-66-99(136(219)220)176-128(211)97(64-183)175-133(216)109(73(8)185)178-126(209)91(55-76-40-42-102(186)79(139)52-76)172-132(215)108(72(7)184)177-119(202)84(35-19-22-46-142)162-123(206)92(56-77-60-153-81-32-16-15-31-78(77)81)170-122(205)90(54-75-29-13-10-14-30-75)168-121(204)89(53-74-27-11-9-12-28-74)169-124(207)94(58-104(145)188)171-117(200)83(163-129(98)212)34-18-21-45-141/h9-16,27-32,40,42,52,60,67-73,80,82-101,108-109,153,181-186H,17-26,33-39,41,43-51,53-59,61-66,140-143H2,1-8H3,(H2,144,187)(H2,145,188)(H2,146,189)(H,154,193)(H,155,196)(H,156,197)(H,157,213)(H,158,203)(H,159,190)(H,160,198)(H,161,201)(H,162,206)(H,163,212)(H,164,199)(H,165,214)(H,166,195)(H,167,194)(H,168,204)(H,169,207)(H,170,205)(H,171,200)(H,172,215)(H,173,210)(H,174,208)(H,175,216)(H,176,211)(H,177,202)(H,178,209)(H,191,192)(H,219,220)(H4,147,148,151)(H4,149,150,152)/t68-,69-,70-,71-,72+,73+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,108-,109-/m0/s1/i139-2

InChIKey

DNWOICFXGDPWDH-UDNLFYBJSA-N

Smiles

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)c([125I])c4)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](Cc8ccccc8)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC3=O)[C@@H](C)O)[C@@H](C)O)C(=O)O