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Substance Name: T 107
RN: 149665-71-4
InChIKey: PNUGLWTUASDUFU-UHFFFAOYSA-N

Note

  • Cytotoxic LHRH agonist; less toxic than doxorubicin by itself.

Molecular Formula

  • C91-H117-N19-O26

Molecular Weight

  • 1893.03
 
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Names and Synonyms

Results Name

  • T 107

Synonym

  • T-107

Systematic Name

  • Luteinizing hormone-releasing factor (pig), 6-(N6-(5-((2,3,6-trideoxy-1-O-(1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl)-alpha-L-lyxo-hexopyranos-3-yl)amino)-1,5-dioxopentyl)-D-lysine)-, (1S-cis)-

Registry Numbers

CAS Registry Number

  • 149665-71-4

System Generated Number

  • 0149665714

Structure Descriptors

InChI

1S/C91H117N19O26/c1-44(2)33-57(83(126)104-55(17-11-29-98-90(93)94)89(132)110-32-12-18-62(110)88(131)100-41-66(92)115)105-81(124)53(16-7-8-28-97-68(116)20-10-21-69(117)102-56-37-71(135-45(3)76(56)119)136-64-39-91(133,65(114)43-112)38-51-73(64)80(123)75-74(78(51)121)77(120)50-14-9-19-63(134-4)72(50)79(75)122)103-84(127)58(34-46-22-24-48(113)25-23-46)106-87(130)61(42-111)109-85(128)59(35-47-40-99-52-15-6-5-13-49(47)52)107-86(129)60(36-67-95-30-31-96-67)108-82(125)54-26-27-70(118)101-54/h5-6,9,13-15,19,22-25,30-31,40,44-45,53-62,64,71,76,99,111-113,119,121,123,133H,7-8,10-12,16-18,20-21,26-29,32-39,41-43H2,1-4H3,(H2,92,115)(H,95,96)(H,97,116)(H,100,131)(H,101,118)(H,102,117)(H,103,127)(H,104,126)(H,105,124)(H,106,130)(H,107,129)(H,108,125)(H,109,128)(H4,93,94,98)

InChIKey

PNUGLWTUASDUFU-UHFFFAOYSA-N

Smiles

C1[C@@H](N(CC1)C(=O)[C@@H](CCCNC(N)=N)NC([C@@H](NC([C@@H](CCCCNC(CCCC(N[C@@H]1C[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C[C@@](C2)(C(=O)CO)O)O[C@@H](C)[C@@H]1O)=O)=O)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC([C@@H](Cc1c[nH]c2c1cccc2)NC([C@@H](NC(=O)[C@@H]1NC(=O)CC1)Cc1ncc[nH]1)=O)=O)Cc1ccc(cc1)O)=O)CC(C)C)=O)C(NCC(N)=O)=O