(Q105191569)

English

2-acetamido-3-[[(1S,3S)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]sulfanyl]propanoic acid

group of stereoisomers with the chemical formula C₂₆H₃₂N₂O₉S

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

548.1828516039999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₆H₃₂N₂O₉S

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canonical SMILES

CNC1=C(SCC(NC(C)=O)C(=O)O)C(=O)c2c(cc3c(c2O)C(CCC(C)C)OC(CC(=O)O)C3)C1=O

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isomeric SMILES

CNC1=C(SCC(NC(C)=O)C(=O)O)C(=O)c2c(cc3c(c2O)[C@H](CCC(C)C)O[C@H](CC(=O)O)C3)C1=O

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found in taxon

Streptomyces

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stated in

Novel naphthoquinones from a Streptomyces sp

Identifiers

InChI

InChI=1S/C26H32N2O9S/c1-11(2)5-6-17-19-13(7-14(37-17)9-18(30)31)8-15-20(23(19)33)24(34)25(21(27-4)22(15)32)38-10-16(26(35)36)28-12(3)29/h8,11,14,16-17,27,33H,5-7,9-10H2,1-4H3,(H,28,29)(H,30,31)(H,35,36)/t14-,16?,17-/m0/s1

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InChIKey

OGFKCFDHVVBHKQ-NZEUDUFCSA-N

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PubChem CID

139586510

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based on heuristic

inferred from InChIKey

ChEBI ID

223659

mapping relation type

exact match

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matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H32N2O9S/c1-11(2)5-6-17-19-13(7-14(37-17)9-18(30)31)8-15-20(23(19)33)24(34)25(21(27-4)22(15)32)38-10-16(26(35)36)28-12(3)29/h8,11,14,16-17,27,33H,5-7,9-10H2,1-4H3,(H,28,29)(H,30,31)(H,35,36)/t14-,16?,17-/m0/s1

1 reference

Natural Product Atlas ID

NPA012262

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OGFKCFDHVVBHKQ-NZEUDUFCSA-N

(Q105191569)

2-acetamido-3-[[(1S,3S)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]sulfanyl]propanoic acid

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Identifiers

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