Casein

Catalog No. :
ACLLPQ786
CAS No. :
9000-71-9
Molecular Formula :
C81H125N22O39P
Molecular Weight :
2061.98

IUPAC Name:38-((2-((2-((2-amino-1-hydroxy-3-phenylpropylidene)amino)-1,5-dihydroxy-5-iminopentylidene)amino)-1-hydroxy-3-(phosphonooxy)propylidene)amino)-2-(4-aminobutyl)-14,20,35-tris(2-carboxyethyl)-5,17-bis(carboxymethyl)-4,7,10,13,16,19,22,25,28,31,34,37-dodecahydroxy-8,26,29,32-tetrakis(3-hydroxy-3-iminopropyl)-23-(1-hydroxyethyl)-11-isobutyl-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazahentetraconta-3,6,9,12,15,18,21,24,27,30,33,36-dodecaenedioic acid

Casein structure diagram
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Product Information

Product NameCasein
IUPAC Name38-((2-((2-((2-amino-1-hydroxy-3-phenylpropylidene)amino)-1,5-dihydroxy-5-iminopentylidene)amino)-1-hydroxy-3-(phosphonooxy)propylidene)amino)-2-(4-aminobutyl)-14,20,35-tris(2-carboxyethyl)-5,17-bis(carboxymethyl)-4,7,10,13,16,19,22,25,28,31,34,37-dodecahydroxy-8,26,29,32-tetrakis(3-hydroxy-3-iminopropyl)-23-(1-hydroxyethyl)-11-isobutyl-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazahentetraconta-3,6,9,12,15,18,21,24,27,30,33,36-dodecaenedioic acid
MDL No.MFCD00081481
Molecular FormulaC81H125N22O39P
Molecular Weight2061.98
SMILESCC(C)CC(N=C(O)C(CCC(=O)O)N=C(O)C(CC(=O)O)N=C(O)C(CCC(=O)O)N=C(O)C(N=C(O)C(CCC(=N)O)N=C(O)C(CCC(=N)O)N=C(O)C(CCC(=N)O)N=C(O)C(CCC(=O)O)N=C(O)C(CCC(=O)O)N=C(O)C(COP(=O)(O)O)N=C(O)C(CCC(=N)O)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(=N)O)C(O)=NC(CC(=O)O)C(O)=NC(CCCCN)C(=O)O
InChI KeyBECPQYXYKAMYBN-UHFFFAOYSA-N
SynonymE80592 | Q193970 | MFCD00081481 | AKOS032949825 | Casein | Bovine beta-casein monophosphopeptide | Caseins
CAS No.9000-71-9
PubChem CID73995022

Synthetic Route by SureRoute

1. ACLLPQ786 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACLLPQ786 route product structure diagram
    ACLLPQ7869000-71-9
Inquiry

2. ACLLPQ786 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLLPQ786 route product structure diagram
    ACLLPQ7869000-71-9
Inquiry

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