(S)-3-((S)-2-((S)-1-(acetyl-L-valyl-L-histidyl-L-valyl-L-threonyl-L-isoleucyl)pyrrolidine-2-carboxamido)propanamido)-4-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((2S,3S)-1-(((S)-4-amino-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-oxobutanoic acid

Catalog No. :
ACXWAV599
CAS No. :
2641313-47-3
Molecular Formula :
C88H130N22O22
Molecular Weight :
1848.14

IUPAC Name:(S)-3-((S)-2-((S)-1-(acetyl-L-valyl-L-histidyl-L-valyl-L-threonyl-L-isoleucyl)pyrrolidine-2-carboxamido)propanamido)-4-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((2S,3S)-1-(((S)-4-amino-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-oxobutanoic acid

(S)-3-((S)-2-((S)-1-(acetyl-L-valyl-L-histidyl-L-valyl-L-threonyl-L-isoleucyl)pyrrolidine-2-carboxamido)propanamido)-4-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((2S,3S)-1-(((S)-4-amino-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-oxobutanoic acid structure diagram
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Product Information

Product Name(S)-3-((S)-2-((S)-1-(acetyl-L-valyl-L-histidyl-L-valyl-L-threonyl-L-isoleucyl)pyrrolidine-2-carboxamido)propanamido)-4-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((2S,3S)-1-(((S)-4-amino-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-oxobutanoic acid
IUPAC Name(S)-3-((S)-2-((S)-1-(acetyl-L-valyl-L-histidyl-L-valyl-L-threonyl-L-isoleucyl)pyrrolidine-2-carboxamido)propanamido)-4-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((2S,3S)-1-(((S)-4-amino-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-oxobutanoic acid
Molecular FormulaC88H130N22O22
Molecular Weight1848.14
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
InChI KeyYIXJTJKQQNLLRJ-FGAVTVSPSA-N
SynonymL-Lysinamide, N-acetyl-L-valyl-L-histidyl-L-valyl-L-threonyl-L-isoleucyl-L-prolyl-L-alanyl-L-α-aspartyl-L-leucyl-L-tryptophyl-L-α-aspartyl-L-tryptophyl-L-isoleucyl-L-asparaginyl-;Erepdekinra
CAS No.2641313-47-3

Synthetic Route by SureRoute

1. ACXWAV599 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACXWAV599 route product structure diagram
    ACXWAV5992641313-47-3
Inquiry

2. ACXWAV599 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACXWAV599 route product structure diagram
    ACXWAV5992641313-47-3
Inquiry

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