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Substance Name: DOTA satoreotide
RN: 1039726-31-2
UNII: EC1O2FB9FV
InChIKey: YFDJFDKAEDIJEX-FHVBBFGLSA-N

Molecular Formula

  • C73-H96-Cl-N19-O21-S2

Molecular Weight

  • 1675.241
 
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Names and Synonyms

Name of Substance

  • DOTA satoreotide

Synonyms

  • DOTA satoreotide
  • Satoreotide DOTA
  • UNII-EC1O2FB9FV

Registry Numbers

CAS Registry Number

  • 1039726-31-2

FDA UNII

  • EC1O2FB9FV

System Generated Number

  • 1039726312

Structure Descriptors

InChI

1S/C73H96ClN19O21S2/c1-40(94)61-71(112)85-55(70(111)89-62(63(76)104)44-12-18-48(95)19-13-44)39-116-115-38-54(84-66(107)50(30-41-8-14-45(74)15-9-41)80-57(97)34-90-21-23-91(35-58(98)99)25-27-93(37-60(102)103)28-26-92(24-22-90)36-59(100)101)69(110)83-52(32-43-5-4-6-47(29-43)78-65(106)53-33-56(96)87-73(114)86-53)68(109)82-51(31-42-10-16-46(17-11-42)79-72(77)113)67(108)81-49(64(105)88-61)7-2-3-20-75/h4-6,8-19,29,40,49-55,61-62,94-95H,2-3,7,20-28,30-39,75H2,1H3,(H2,76,104)(H,78,106)(H,80,97)(H,81,108)(H,82,109)(H,83,110)(H,84,107)(H,85,112)(H,88,105)(H,89,111)(H,98,99)(H,100,101)(H,102,103)(H3,77,79,113)(H2,86,87,96,114)/t40-,49+,50-,51-,52+,53+,54-,55+,61+,62-/m1/s1

InChIKey

YFDJFDKAEDIJEX-FHVBBFGLSA-N

Smiles

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(=O)N)cc2)NC(=O)[C@H](Cc3cccc(NC(=O)[C@@H]4CC(=O)NC(=O)N4)c3)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C(=O)N)c5ccc(O)cc5)NC(=O)[C@@H](Cc6ccc(Cl)cc6)NC(=O)CN7CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC7