(Q76084775)

English

(3S,4S,5S)-3-amino-4,5-dihydroxy-6-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-6-oxohexanoic acid

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

3-Amino-4,5-dihydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxohexanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

424.184565856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4R,5R)-3-amino-4,5-dihydroxy-6-[[(1S)-1-[(3R)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-6-oxohexanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈N₂O₈

0 references

canonical SMILES

CC(C)CC(NC(=O)C(O)C(O)C(N)CC(=O)O)C1Cc2cccc(O)c2C(=O)O1

0 references

isomeric SMILES

CC(C)C[C@@H]([C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)[C@H]([C@H]([C@H](CC(=O)O)N)O)O

0 references

found in taxon

Bacillus pumilus

1 reference

stated in

(Studies on AI-77s, microbial products with pharmacological activity) structures and the chemical nature of AI-77s

Alternaria alternata

1 reference

stated in

Sg17-1-4, a novel isocoumarin from a marine fungus Alternaria tenuis Sg17-1.

Alternaria tenuis

1 reference

stated in

Sg17-1-4, a novel isocoumarin from a marine fungus Alternaria tenuis Sg17-1.

Bacillus subtilis

1 reference

stated in

Bacilosarcins A and B, novel bioactive isocoumarins with unusual heterocyclic cores from the marine-derived bacterium Bacillus subtilis

Identifiers

InChI

InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1

0 references

InChIKey

LOXFXXGTOVWWQV-YKRRISCLSA-N

0 references

CAS Registry Number

77674-99-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

PubChemLite tier0 and tier1

matched by identifier from

InChIKey

LOXFXXGTOVWWQV-YKRRISCLSA-N

10982781

1 reference

matched by identifier from

InChIKey

LOXFXXGTOVWWQV-YKRRISCLSA-N

ChEBI ID

210281

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

LOXFXXGTOVWWQV-YKRRISCLSA-N

Natural Product Atlas ID

NPA009745

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LOXFXXGTOVWWQV-YKRRISCLSA-N

(Q76084775)

(3S,4S,5S)-3-amino-4,5-dihydroxy-6-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-6-oxohexanoic acid

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)