(S)-N1-((5S,8S,11S,17S,20S,23S,26S)-11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-8-benzyl-5-carbamoyl-17-((R)-1-hydroxyethyl)-20,28-dimethyl-7,10,13,16,19,22,25-heptaoxo-2-thia-6,9,12,15,18,21,24-heptaazanonacosan-26-yl)-2-(2-aminoacetamido)succinamide

Catalog No. :
ACDSQN336
CAS No. :
87096-84-2
Molecular Formula :
C52H73N15O12S
Molecular Weight :
1132.32

IUPAC Name:(S)-N1-((5S,8S,11S,17S,20S,23S,26S)-11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-8-benzyl-5-carbamoyl-17-((R)-1-hydroxyethyl)-20,28-dimethyl-7,10,13,16,19,22,25-heptaoxo-2-thia-6,9,12,15,18,21,24-heptaazanonacosan-26-yl)-2-(2-aminoacetamido)succinamide

(S)-N1-((5S,8S,11S,17S,20S,23S,26S)-11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-8-benzyl-5-carbamoyl-17-((R)-1-hydroxyethyl)-20,28-dimethyl-7,10,13,16,19,22,25-heptaoxo-2-thia-6,9,12,15,18,21,24-heptaazanonacosan-26-yl)-2-(2-aminoacetamido)succinamide structure diagram
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Product Information

Product Name(S)-N1-((5S,8S,11S,17S,20S,23S,26S)-11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-8-benzyl-5-carbamoyl-17-((R)-1-hydroxyethyl)-20,28-dimethyl-7,10,13,16,19,22,25-heptaoxo-2-thia-6,9,12,15,18,21,24-heptaazanonacosan-26-yl)-2-(2-aminoacetamido)succinamide
IUPAC Name(S)-N1-((5S,8S,11S,17S,20S,23S,26S)-11-((1H-imidazol-5-yl)methyl)-23-((1H-indol-3-yl)methyl)-8-benzyl-5-carbamoyl-17-((R)-1-hydroxyethyl)-20,28-dimethyl-7,10,13,16,19,22,25-heptaoxo-2-thia-6,9,12,15,18,21,24-heptaazanonacosan-26-yl)-2-(2-aminoacetamido)succinamide
MDL No.MFCD00167607
Molecular FormulaC52H73N15O12S
Molecular Weight1132.32
SMILESCSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O
InChI KeyYPFNACALNKVZNK-MFNIMNRCSA-N
SynonymNEUROMEDIN B (HUMAN, PORCINE, RAT);NEUROMEDIN B (HUMAN, PORCINE, RAT) ACOH 5H2O;NEUROMEDIN B, PORCINE;NEUROMEDIN B;H-GLY-ASN-LEU-TRP-ALA-THR-GLY-HIS-PHE-MET-NH2;GNLWATGHFM-NH2;GLY-ASN-LEU-TRP-ALA-THR-GLY-HIS-PHE-MET-NH2;GLY-ASN-LEU-TRP-ALA-THR-GLY-HIS-PHE-MET-NH2 ACOH 5H2O
CAS No.87096-84-2

Synthetic Route by SureRoute

1. ACDSQN336 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDSQN336 route product structure diagram
    ACDSQN33687096-84-2
Inquiry

2. ACDSQN336 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDSQN336 route product structure diagram
    ACDSQN33687096-84-2
Inquiry

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