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Substance Name: Azaline
RN: 134457-26-4
InChIKey: XHCGTVHIQUXPRM-SSIREWOPSA-N

Note

  • Gonadorelin antagonist.

Molecular Formula

  • C74-H106-Cl-N23-O12

Molecular Weight

  • 1545.2534
 
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Names and Synonyms

Name of Substance

  • Azaline

Synonyms

  • 1-Acnal-2-cpa-3-pal-5,6-lys-8-ilys-10-ala-gnrh
  • Azaline
  • Azaline A
  • GNRH, Ac-nal(1)-cpa(2)-pal(3)-lys(5,6)-ilys(8)-ala(10)-
  • LHRH, N-Acetyl-2-naphthylalanyl(1)-4-chlorophenylalanyl(2)-3-pyridylalanyl(3)-lysyl(5,6)-iodolysyl(8)-alanine(10)-
  • N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N6-(5-amino-1H-1,2,4-triazol-3-yl)-L-lysyl-N6-(5-amino-1H-1,2,4-triazol-3-yl)-D-lysyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide

Systematic Name

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N6-(5-amino-1H-1,2,4-triazol-3-yl)-L-lysyl-N6-(5-amino-1H-a,2,4-triazol-3-yl)-D-lysyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 134457-26-4

System Generated Number

  • 0134457264

Structure Descriptors

InChI

1S/C74H106ClN23O12/c1-42(2)34-57(88-62(103)51(76)19-8-12-31-85-72-90-70(81)92-94-72)66(107)97(65(106)53(78)21-10-13-32-86-73-91-71(82)93-95-73)69(110)74(61(102)54(79)36-45-24-27-50(75)28-25-45,39-60(101)56(87-44(5)100)38-46-23-26-48-17-6-7-18-49(48)35-46)98(67(108)58(41-99)89-63(104)55(80)37-47-16-14-29-83-40-47)68(109)59-22-15-33-96(59)64(105)52(77)20-9-11-30-84-43(3)4/h6-7,14,16-18,23-29,35,40,42-43,51-59,84,99H,8-13,15,19-22,30-34,36-39,41,76-80H2,1-5H3,(H,87,100)(H,88,103)(H,89,104)(H4,81,85,90,92,94)(H4,82,86,91,93,95)/t51-,52+,53+,54-,55-,56-,57+,58+,59+,74+/m1/s1

InChIKey

XHCGTVHIQUXPRM-SSIREWOPSA-N

Smiles

CC(C)C[C@@H](C(=O)N(C(=O)[C@H](CCCCNc1nc([nH]n1)N)N)C(=O)[C@](CC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)C)(C(=O)[C@@H](Cc4ccc(cc4)Cl)N)N(C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCNC(C)C)N)C(=O)[C@H](CO)NC(=O)[C@@H](Cc6cccnc6)N)NC(=O)[C@@H](CCCCNc7nc([nH]n7)N)N