(S)-4-((2S,3R)-2-((S)-1-(L-glutaminyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-arginyl-L-aspartyl-L-prolyl)pyrrolidine-2-carboxamido)-3-hydroxybutanamido)-5-(((2S,3R)-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-((S)-2-(((S)-3-carboxy-1-((S)-2-(((S)-1-(((S)-1-carboxy-2-hydroxyethyl)amino)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid

Catalog No. :
ACFHXA469
CAS No. :
959961-23-0
Molecular Formula :
C115H187N33O42
Molecular Weight :
2703.95

IUPAC Name:(S)-4-((2S,3R)-2-((S)-1-(L-glutaminyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-arginyl-L-aspartyl-L-prolyl)pyrrolidine-2-carboxamido)-3-hydroxybutanamido)-5-(((2S,3R)-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-((S)-2-(((S)-3-carboxy-1-((S)-2-(((S)-1-(((S)-1-carboxy-2-hydroxyethyl)amino)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid

(S)-4-((2S,3R)-2-((S)-1-(L-glutaminyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-arginyl-L-aspartyl-L-prolyl)pyrrolidine-2-carboxamido)-3-hydroxybutanamido)-5-(((2S,3R)-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-((S)-2-(((S)-3-carboxy-1-((S)-2-(((S)-1-(((S)-1-carboxy-2-hydroxyethyl)amino)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid structure diagram
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Product Information

Product Name(S)-4-((2S,3R)-2-((S)-1-(L-glutaminyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-arginyl-L-aspartyl-L-prolyl)pyrrolidine-2-carboxamido)-3-hydroxybutanamido)-5-(((2S,3R)-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-((S)-2-(((S)-3-carboxy-1-((S)-2-(((S)-1-(((S)-1-carboxy-2-hydroxyethyl)amino)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
IUPAC Name(S)-4-((2S,3R)-2-((S)-1-(L-glutaminyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-arginyl-L-aspartyl-L-prolyl)pyrrolidine-2-carboxamido)-3-hydroxybutanamido)-5-(((2S,3R)-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-((S)-2-(((S)-3-carboxy-1-((S)-2-(((S)-1-(((S)-1-carboxy-2-hydroxyethyl)amino)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
Molecular FormulaC115H187N33O42
Molecular Weight2703.95
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O
InChI KeyMBICTOITIIILAZ-UNWACOBVSA-N
SynonymAD 01;AD01 trifluoroacetate salt;AD-01 trifluoroacetate salt;NH2-QIRQQPRDPPTETLELEVSPDPAS-OH trifluoroacetate salt;L-Serine, L-glutaminyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-arginyl-L-α-aspartyl-L-prolyl-L-prolyl-L-threonyl-L-α-glutamyl-L-threonyl-L-leucyl-L-α-glutamyl-L-leucyl-L-α-glutamyl-L-valyl-L-seryl-L-prolyl-L-α-aspartyl-L-prolyl-L-alanyl-
CAS No.959961-23-0

Synthetic Route by SureRoute

1. ACFHXA469 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACFHXA469 route product structure diagram
    ACFHXA469959961-23-0
Inquiry

2. ACFHXA469 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACFHXA469 route product structure diagram
    ACFHXA469959961-23-0
Inquiry

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