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Substance Name: LHRH, N-Ac(2)-Nal(1)-4-Cl-phe(2)-3-pal(3)-arg(5)-5-(4-methoxyphenyl)-5-oxo-2-aminopentanoic acid(6)-ala(10)-
RN: 119018-01-8
InChIKey: OFIJCYSNGZDVTJ-YKJOSNDESA-N

Note

  • Gonadorelin antagonist.

Molecular Formula

  • C73-H96-Cl-N17-O15

Molecular Weight

  • 1487.1184
 
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Names and Synonyms

Name of Substance

  • LHRH, N-Ac(2)-Nal(1)-4-Cl-phe(2)-3-pal(3)-arg(5)-5-(4-methoxyphenyl)-5-oxo-2-aminopentanoic acid(6)-ala(10)-

Synonyms

  • 1-(N-Ac-2-Nal)-2-(4-Cl-phe)-3-(3-pal)-5-arg-6-(5-(4-methoxyphenyl)-5-oxo-2-aminopentanoic acid)-10-ala-LHRH
  • Gnrh,N-Ac-2-nal(1)-4-Cl-phe(2)-3-pal(3)-arg(5)-5-(4-methoxyphenyl)-5-oxo-2-aminopentanoic acid(6)-ala(10)-
  • LHRH, N-Acetyl-2-naphthylalanyl(1)-4-chlorophenylalanyl(2)-3-pyridylalanyl(3)-arginyl(5)-5-(4-methoxyphenyl)-5-oxo-2-aminopentanoic acid(6)-alanyl(10)-
  • Nal-ppaa

Systematic Name

  • D-Alanine, N-(1-(N2-(N-(N-(N2-(N-(N-(N-(N-acetyl-3-(2-naphthalenyl)-D-alanyl)-4-chloro-D-phenylalanyl)-3-(3-pyridinyl)-D-alanyl)-L-seryl)-L-arginyl)-5-(4-methoxyphenyl)-5-oxo-D-norvalyl)-L-leucyl)-N6-(1-methylethyl)-L-lysyl)-L-prolyl)-

Registry Numbers

CAS Registry Number

  • 119018-01-8

System Generated Number

  • 0119018018

Structure Descriptors

InChI

1S/C73H96ClN17O15/c1-41(2)34-55(64(97)86-54(16-10-32-81-73(77)78)70(103)91-33-11-17-60(91)69(102)82-42(3)71(104)105)87-63(96)53(28-29-61(94)48-22-26-51(106-5)27-23-48)85-62(95)52(15-9-31-80-72(75)76)84-68(101)59(40-92)90-67(100)58(38-46-12-8-30-79-39-46)89-66(99)57(36-44-19-24-50(74)25-20-44)88-65(98)56(83-43(4)93)37-45-18-21-47-13-6-7-14-49(47)35-45/h6-8,12-14,18-27,30,35,39,41-42,52-60,92H,9-11,15-17,28-29,31-34,36-38,40H2,1-5H3,(H,82,102)(H,83,93)(H,84,101)(H,85,95)(H,86,97)(H,87,96)(H,88,98)(H,89,99)(H,90,100)(H,104,105)(H4,75,76,80)(H4,77,78,81)/t42-,52+,53-,54+,55+,56-,57-,58-,59+,60+/m1/s1

InChIKey

OFIJCYSNGZDVTJ-YKJOSNDESA-N

Smiles

C[C@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)c2ccc(cc2)OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C