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(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-15-((1-benzyl-1H-imidazol-4-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide acetate

Catalog No. :
ACOLFE249
CAS No. :
220810-26-4
Molecular Formula :
C68H90N18O14
Molecular Weight :
1383.58

IUPAC Name:(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-15-((1-benzyl-1H-imidazol-4-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide acetate

(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-15-((1-benzyl-1H-imidazol-4-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide acetate structure diagram
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Product Name(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-15-((1-benzyl-1H-imidazol-4-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide acetate
IUPAC Name(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-15-((1-benzyl-1H-imidazol-4-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide acetate
Molecular FormulaC68H90N18O14
Molecular Weight1383.58
SMILESCC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1
InChI KeyOWAUGAMNPZHEOJ-YKZVIGSYSA-N
Synonym(Des-Gly10,D-His(Bzl)6,Pro-NHEt 9)-LHRH acetate salt Pyr-His-Trp-Ser-Tyr-D-His(Bzl)-Leu-Arg-Pro-NHEt acetate salt;Supprelin la;Vantas;Histrelin acetate, >=98%;Histrelin?Acetate impurity;Vantas USP/EP/BP;Histrelin Acetate(acetate);(Des-Gly??,D-His(Bzl)?,Pro-NHEt?)-LHRH acetate salt
CAS No.220810-26-4

Synthetic Route by SureRoute

1. ACOLFE249 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACCSTX691 route compound structure diagram
    ACCSTX69128874-51-3 In Stock
  4. Then
  5. ACOLFE249 route product structure diagram
    ACOLFE249220810-26-4
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2. ACOLFE249 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACOLFE249 route product structure diagram
    ACOLFE249220810-26-4
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