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Substance Name: Fexapotide triflutate [USAN]
RN: 1609252-56-3
UNII: 98LVA678ME
InChIKey: IBMWAUVJJROIMB-IWEBAUSJSA-N

Classification Code

  • Treatment of Prostate Cancer; Treatment of Benign Prostatic Hyperplasia

Molecular Formula

  • C90-H163-N27-O25-S.5C2-H-F3-O2

Molecular Weight

  • 2625.6172
 
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Names and Synonyms

Name of Substance

  • Fexapotide triflutate [USAN]

Synonyms

  • Fexapotide triflutate
  • L-isoleucyl-L-alpha-aspartyl-L-glutaminyl-L-glutaminyl-L-valyl-L-leucyl-L-seryl-L-arginyl-L-isoleucyl-L-lysyl-L-leucyl-L-alpha-glutamyl-L-isoleucyl-L-lysyl-L-arginyl-L-cysteinyl-L-leucine pentakis(2,2,2-trifluoroacetate)
  • NX-1207
  • UNII-98LVA678ME

Systematic Name

  • L-Leucine, L-isoleucyl-L-alpha-aspartyl-L-glutaminyl-L-glutaminyl-L-valyl-L-leucyl-L-seryl-L-arginyl-L-isoleucyl-L-lysyl-L-leucyl-L-alpha-glutamyl-L-isoleucyl-L-lysyl-L-arginyl-L-cysteinyl-, 2,2,2-trifluoroacetate (1:5)

Registry Numbers

CAS Registry Number

  • 1609252-56-3

FDA UNII

  • 98LVA678ME

System Generated Number

  • 1609252563

Structure Descriptors

InChI

1S/C90H163N27O25S.5C2HF3O2/c1-15-48(12)68(95)84(137)110-60(41-67(123)124)81(134)105-55(28-31-64(93)119)75(128)104-56(29-32-65(94)120)77(130)115-69(47(10)11)85(138)111-59(39-45(6)7)80(133)113-62(42-118)82(135)103-54(27-23-37-101-90(98)99)76(129)116-70(49(13)16-2)86(139)108-52(25-19-21-35-92)73(126)109-58(38-44(4)5)79(132)106-57(30-33-66(121)122)78(131)117-71(50(14)17-3)87(140)107-51(24-18-20-34-91)72(125)102-53(26-22-36-100-89(96)97)74(127)114-63(43-143)83(136)112-61(88(141)142)40-46(8)9;5*3-2(4,5)1(6)7/h44-63,68-71,118,143H,15-43,91-92,95H2,1-14H3,(H2,93,119)(H2,94,120)(H,102,125)(H,103,135)(H,104,128)(H,105,134)(H,106,132)(H,107,140)(H,108,139)(H,109,126)(H,110,137)(H,111,138)(H,112,136)(H,113,133)(H,114,127)(H,115,130)(H,116,129)(H,117,131)(H,121,122)(H,123,124)(H,141,142)(H4,96,97,100)(H4,98,99,101);5*(H,6,7)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-,69-,70-,71-;;;;;/m0...../s1

InChIKey

IBMWAUVJJROIMB-IWEBAUSJSA-N

Smiles

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F