Aeruginosin 98-B

Catalog No. :
ACFYLK781
CAS No. :
167228-01-5
Molecular Formula :
C29H46N6O9S
Molecular Weight :
654.79

IUPAC Name:(2S,3aS,6R,7aS)-2-((4-((diaminomethylene)amino)butyl)carbamoyl)-1-(((R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl)-D-alloisoleucyl)octahydro-1H-indol-6-yl hydrogen sulfate

Aeruginosin 98-B structure diagram
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Product Information

Product NameAeruginosin 98-B
IUPAC Name(2S,3aS,6R,7aS)-2-((4-((diaminomethylene)amino)butyl)carbamoyl)-1-(((R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl)-D-alloisoleucyl)octahydro-1H-indol-6-yl hydrogen sulfate
Molecular FormulaC29H46N6O9S
Molecular Weight654.79
SMILESO=S(O)(O[C@@H]1CC[C@@]2([H])C[C@@H](C(NCCCCNC(N)=N)=O)N(C([C@@H]([C@@H](C)CC)NC([C@H](O)CC3=CC=C(O)C=C3)=O)=O)[C@@]2([H])C1)=O
InChI KeyWZVRXEOKWMIDDV-UZSJUIANSA-N
Synonym1H-Indole-2-carboxamide, N-[4-[(aminoiminomethyl)amino]butyl]octahydro-1-[(2R,3S)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]-6-(sulfooxy)-, (2S,3aS,6R,7aS)-;Aeruginosin 98-B
CAS No.167228-01-5

Synthetic Route by SureRoute

1. ACFYLK781 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

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2. ACFYLK781 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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    ACFYLK781167228-01-5
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