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Substance Name: RS 18286
RN: 109458-76-6
InChIKey: HSSQTRIHWGSBEN-JWSUZFETSA-N

Note

  • LHRH antagonist.

Molecular Formula

  • C74-H101-Cl2-N17-O14

Molecular Weight

  • 1523.62
 
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Names and Synonyms

Name of Substance

  • RS 18286

Synonyms

  • 1-N-Ac-(4-Cl-Phe)-2-(4-Cl-phe)-3-trp-6-Et2-harg-10-ala-LHRH
  • GNRH, N-Ac-4-Cl-phe(1)-(4-Cl-phe)(2)-trp(3)-Et2-harg(6)-ala(10)-
  • LHRH, N-ac-4-Cl-Phe(1)-(4-Cl-phe)(2)-trp(3)-Et2-harg(6)-ala(10)-
  • LHRH, N-Acetyl-4-chlorophenylalanyl(1)-(4-chlorophenylalanyl)(2)-tryptophyl(3)-diethylhomoarginyl(6)-alanine(10)-
  • RS-18286

Systematic Name

  • D-Alanine, N-(1-(N2-(N-(N2-(N-(N-(N-(N-(N-acetyl-4-chloro-D-phenylalanyl)-4-chloro-D-phenylalanyl)-D-tryptophyl)-L-seryl)-L-tyrosyl)-N6-(bis(ethylamino)methylene)-D-lysyl)-L-leucyl)-L-arginyl)-L-prolyl)-

Registry Numbers

CAS Registry Number

  • 109458-76-6

System Generated Number

  • 0109458766

Structure Descriptors

InChI

1S/C74H101Cl2N17O14/c1-7-81-73(82-8-2)84-32-12-11-16-52(77)63(98)88-57(35-42(3)4)65(100)87-55(18-13-33-83-72(79)80)68(103)92-34-14-19-61(92)70(105)93(74(6,71(106)107)62(97)56(86-43(5)95)37-45-22-28-49(76)29-23-45)69(104)59(38-46-24-30-50(96)31-25-46)90-67(102)60(41-94)91-66(101)58(39-47-40-85-54-17-10-9-15-51(47)54)89-64(99)53(78)36-44-20-26-48(75)27-21-44/h9-10,15,17,20-31,40,42,52-53,55-61,85,94,96H,7-8,11-14,16,18-19,32-39,41,77-78H2,1-6H3,(H,86,95)(H,87,100)(H,88,98)(H,89,99)(H,90,102)(H,91,101)(H,106,107)(H4,79,80,83)(H2,81,82,84)/t52-,53-,55+,56-,57+,58-,59+,60+,61+,74+/m1/s1

InChIKey

HSSQTRIHWGSBEN-JWSUZFETSA-N

Smiles

C([C@](N(C([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@H](N)CCCC\N=C(\NCC)NCC)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)C([C@@H](NC([C@@H](NC([C@H](NC([C@H](N)Cc1ccc(cc1)Cl)=O)Cc1c[nH]c2ccccc12)=O)CO)=O)Cc1ccc(O)cc1)=O)(C)C([C@H](NC(=O)C)Cc1ccc(cc1)Cl)=O)(=O)O