Rotihibin A

Catalog No. :
ACQJNF180
CAS No. :
142689-34-7
Molecular Formula :
C35H63N11O13
Molecular Weight :
845.95

IUPAC Name:(2S,3S)-N1-((S)-4-amino-1-hydroxy-4-oxobutan-2-yl)-N1-((R)-2-amino-4-((2S,3S)-2-amino-3-hydroxybutanamido)butanoyl)-2-((S)-2-((R)-2-((Z)-dec-2-enamido)-5-ureidopentanamido)-3-hydroxypropanamido)-3-hydroxysuccinamide

Rotihibin A structure diagram
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Product Information

Product NameRotihibin A
IUPAC Name(2S,3S)-N1-((S)-4-amino-1-hydroxy-4-oxobutan-2-yl)-N1-((R)-2-amino-4-((2S,3S)-2-amino-3-hydroxybutanamido)butanoyl)-2-((S)-2-((R)-2-((Z)-dec-2-enamido)-5-ureidopentanamido)-3-hydroxypropanamido)-3-hydroxysuccinamide
Molecular FormulaC35H63N11O13
Molecular Weight845.95
SMILESCCCCCCC/C=C\C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N(C(=O)[C@H](N)CCNC(=O)[C@@H](N)[C@H](C)O)[C@H](CO)CC(N)=O)[C@H](O)C(N)=O
InChI KeyBWAAITPBWDKLCD-PJQVKJQPSA-N
Synonymrotihibin A;L-Aspartamide, N5-(aminocarbonyl)-N2-[(2Z)-1-oxo-2-decenyl]-D-ornithyl-L-seryl-N4-L-allothreonyl-(2S)-2,4-diaminobutanoyl-N1-[(1S)-3-amino-1-(hydroxymethyl)-3-oxopropyl]-3-hydroxy-, (3S)- (9CI)
CAS No.142689-34-7

Synthetic Route by SureRoute

1. ACQJNF180 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACQJNF180 route product structure diagram
    ACQJNF180142689-34-7
Inquiry

2. ACQJNF180 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACQJNF180 route product structure diagram
    ACQJNF180142689-34-7
Inquiry

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