(S)-4-((S)-2-((S)-2-(2-((S)-2-(2-(2-(2-(2-((S)-1-(D-phenylalanyl-L-prolyl-L-arginyl)pyrrolidine-2-carboxamido)acetamido)acetamido)acetamido)acetamido)-4-amino-4-oxobutanamido)acetamido)-3-carboxypropanamido)-3-phenylpropanamido)-5-(((S)-4-carboxy-1-(((2S,3S)-1-((S)-2-(((S)-4-carboxy-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid

Catalog No. :
ACHVNO693
CAS No. :
128270-60-0
Molecular Formula :
C98H138N24O33
Molecular Weight :
2180.32

IUPAC Name:(S)-4-((S)-2-((S)-2-(2-((S)-2-(2-(2-(2-(2-((S)-1-(D-phenylalanyl-L-prolyl-L-arginyl)pyrrolidine-2-carboxamido)acetamido)acetamido)acetamido)acetamido)-4-amino-4-oxobutanamido)acetamido)-3-carboxypropanamido)-3-phenylpropanamido)-5-(((S)-4-carboxy-1-(((2S,3S)-1-((S)-2-(((S)-4-carboxy-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid

(S)-4-((S)-2-((S)-2-(2-((S)-2-(2-(2-(2-(2-((S)-1-(D-phenylalanyl-L-prolyl-L-arginyl)pyrrolidine-2-carboxamido)acetamido)acetamido)acetamido)acetamido)-4-amino-4-oxobutanamido)acetamido)-3-carboxypropanamido)-3-phenylpropanamido)-5-(((S)-4-carboxy-1-(((2S,3S)-1-((S)-2-(((S)-4-carboxy-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid structure diagram
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Product Information

Product Name(S)-4-((S)-2-((S)-2-(2-((S)-2-(2-(2-(2-(2-((S)-1-(D-phenylalanyl-L-prolyl-L-arginyl)pyrrolidine-2-carboxamido)acetamido)acetamido)acetamido)acetamido)-4-amino-4-oxobutanamido)acetamido)-3-carboxypropanamido)-3-phenylpropanamido)-5-(((S)-4-carboxy-1-(((2S,3S)-1-((S)-2-(((S)-4-carboxy-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
IUPAC Name(S)-4-((S)-2-((S)-2-(2-((S)-2-(2-(2-(2-(2-((S)-1-(D-phenylalanyl-L-prolyl-L-arginyl)pyrrolidine-2-carboxamido)acetamido)acetamido)acetamido)acetamido)-4-amino-4-oxobutanamido)acetamido)-3-carboxypropanamido)-3-phenylpropanamido)-5-(((S)-4-carboxy-1-(((2S,3S)-1-((S)-2-(((S)-4-carboxy-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
Molecular FormulaC98H138N24O33
Molecular Weight2180.32
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChI KeyOIRCOABEOLEUMC-GEJPAHFPSA-N
SynonymBivalirudin, TFA;BIVALIRUDIN;BIVALIRUDIN TRIFLUOROACETATE;BITTERMELONP.E;Human Bivalirudin;DPHE-PRO-ARG-PRO-GLY-GLY-GLY-GLY-ASN-GLY-ASP-PHE-GLU-GLU-LLE-PRO-GLU-GLU-TYR-LEU;Bivalirudin Acetate;Bivalirudin BG 8967, Hirulog, Hirulog I
CAS No.128270-60-0

Synthetic Route by SureRoute

1. ACHVNO693 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACHVNO693 route product structure diagram
    ACHVNO693128270-60-0
Inquiry

2. ACHVNO693 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACHVNO693 route product structure diagram
    ACHVNO693128270-60-0
Inquiry

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