(3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-Dibenzyl-3,15-di((R)-sec-butyl)-12-(2-hydroxypropan-2-yl)-9-isobutyl-6,18-diisopropyl-5,11,17,23-tetramethyloctadecahydro-1H,15H-pyrrolo[1,2-m][1]oxa[4,7,10,13,16,19,22,25]octaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonaone

Catalog No. :
ACUBJZ520
CAS No. :
127785-64-2
Molecular Formula :
C60H92N8O11
Molecular Weight :
1101.44

IUPAC Name:(3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-dibenzyl-3,15-di((R)-sec-butyl)-12-(2-hydroxypropan-2-yl)-9-isobutyl-6,18-diisopropyl-5,11,17,23-tetramethyloctadecahydro-1H,15H-pyrrolo[1,2-m][1]oxa[4,7,10,13,16,19,22,25]octaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonaone

(3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-Dibenzyl-3,15-di((R)-sec-butyl)-12-(2-hydroxypropan-2-yl)-9-isobutyl-6,18-diisopropyl-5,11,17,23-tetramethyloctadecahydro-1H,15H-pyrrolo[1,2-m][1]oxa[4,7,10,13,16,19,22,25]octaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonaone structure diagram
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Product Information

Product Name(3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-Dibenzyl-3,15-di((R)-sec-butyl)-12-(2-hydroxypropan-2-yl)-9-isobutyl-6,18-diisopropyl-5,11,17,23-tetramethyloctadecahydro-1H,15H-pyrrolo[1,2-m][1]oxa[4,7,10,13,16,19,22,25]octaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonaone
IUPAC Name(3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-dibenzyl-3,15-di((R)-sec-butyl)-12-(2-hydroxypropan-2-yl)-9-isobutyl-6,18-diisopropyl-5,11,17,23-tetramethyloctadecahydro-1H,15H-pyrrolo[1,2-m][1]oxa[4,7,10,13,16,19,22,25]octaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonaone
MDL No.MFCD01675341
Molecular FormulaC60H92N8O11
Molecular Weight1101.44
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
InChI KeyRLMLFADXHJLPSQ-QKCBWMAHSA-N
SynonymCyclo[L-Phe-N-methyl-L-Phe-L-Pro-L-aIle-N-methyl-L-Val-L-Leu-N-methyl-β-hydroxy-L-Val-[(3R)-D-Hmp-]-N-methyl-L-Val-];LY-295337;Aureobasidin A (9CI);Aureobasidin A (AbA);Basifungin;aureobasidin A;Cyclo[L-alloisoleucyl-N-methyl-L-valyl-L-leucyl-N,3-dimethyl-L-threonyl-(2R,3R)-2-hydroxy-3-methylpentanoyl-N-methyl-L-valyl-L-phenylalanyl-N-methyl-L-phenylalanyl-L-prolyl];Basifungin/Aureobasidin A
CAS No.127785-64-2
PubChem CID9919816

Synthetic Route by SureRoute

1. ACUBJZ520 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACUBJZ520 route product structure diagram
    ACUBJZ520127785-64-2
Inquiry

2. ACUBJZ520 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACUBJZ520 route product structure diagram
    ACUBJZ520127785-64-2
Inquiry

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