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3-[(3S,6R,9S,16S,19R,22R,27aS)-16,22-Bis(2-amino-2-oxoethyl)-19-(4-hydroxybenzyl)-9-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-12-octyl-1,4,7,10,14,17,20,23-octaoxohexacosahydro-1H-pyrrolo[1,2-j][1,4,7,1 0,13,16,19,22]octaazacyclopentacosin-3-yl]propanoic acid

Molecular formula:C45H68N10O15
Average mass:989.094
Monoisotopic mass:988.486561
ChemSpider ID:2342763
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8 of 9 defined stereocentres

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Verified

1H-Pyrrolo[1,2-j][1,4,7,10,13,16,19,22]octaazacyclopentacosine-3-propanoic acid, 16,22-bis(2-amino-2-oxoethyl)hexacosahydro-9-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-12-oc tyl-1,4,7,10,14,17,20,23-octaoxo-, (3S,6R,9S,16S,19R,22R,27aS)-

[ACD/Index Name]

3-[(3S,6R,9S,16S,19R,22R,27aS)-16,22-Bis(2-amino-2-oxoethyl)-19-(4-hydroxybenzyl)-9-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-12-octyl-1,4,7,10,14,17,20,23-octaoxohexacosahydro-1H-pyrrolo[1,2-j][1,4,7,1 0,13,16,19,22]octaazacyclopentacosin-3-yl]propanoic acid

[ACD/IUPAC Name]

3-[(3S,6R,9S,16S,19R,22R,27aS)-16,22-Bis(2-amino-2-oxoethyl)-19-(4-hydroxybenzyl)-9-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-12-octyl-1,4,7,10,14,17,20,23-octaoxohexacosahydro-1H-pyrrolo[1,2-j][1,4,7,1 0,13,16,19,22]octaazacyclopentacosin-3-yl]propansäure

[German]

 [ACD/IUPAC Name]

Acide 3-[(3S,6R,9S,16S,19R,22R,27aS)-16,22-bis(2-amino-2-oxoéthyl)-19-(4-hydroxybenzyl)-9-[(1R)-1-hydroxyéthyl]-6-(hydroxyméthyl)-12-octyl-1,4,7,10,14,17,20,23-octaoxohexacosahydro-1H-pyrrolo[1,2-j][1 ,4,7,10,13,16,19,22]octaazacyclopentacosin-3-yl]propanoïque

[French]

 [ACD/IUPAC Name]
Unverified

3-[(3S,6R,9S,16S,19R,22R,27AS)-16,22-BIS(CARBAMOYLMETHYL)-9-[(1R)-1-HYDROXYETHYL]-6-(HYDROXYMETHYL)-19-[(4-HYDROXYPHENYL)METHYL]-12-OCTYL-1,4,7,10,14,17,20,23-OCTAOXO-OCTADECAHYDRO-2H-PYRROLO[1,2-J]1,4,7,10,13,16,19,22-OCTAAZACYCLOPENTACOSAN-3-YL]PROPANOIC ACID

76012-17-4

[RN]

Bacillomycin D