(Q115949541)

English

(2S,3S)-2-[[(1R,3aS,6R,7aS)-6-ethyl-1-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carbonyl]amino]-3-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

323.209658408 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S)-2-[[(1S,3aS,6R,7aS)-6-ethyl-1-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carbonyl]amino]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₉NO₄

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canonical SMILES

O=C(NC(C(=O)O)C(C)CC)C1=CC(CC)CC2C(O)CCC12

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isomeric SMILES

CC[C@H]1C=C(C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@H]2CC[C@@H](O)[C@H]2C1

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found in taxon

Streptomyces scabiei

1 reference

stated in

Production of the Streptomyces scabies coronafacoyl phytotoxins involves a novel biosynthetic pathway with an F420 -dependent oxidoreductase and a short-chain dehydrogenase/reductase

Identifiers

InChI

InChI=1S/C18H29NO4/c1-4-10(3)16(18(22)23)19-17(21)14-9-11(5-2)8-13-12(14)6-7-15(13)20/h9-13,15-16,20H,4-8H2,1-3H3,(H,19,21)(H,22,23)/t10-,11+,12-,13-,15+,16-/m0/s1

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InChIKey

MICLDTZEBPLQFX-QDHUEKFESA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

MICLDTZEBPLQFX-QDHUEKFESA-N

(Q115949541)

(2S,3S)-2-[[(1R,3aS,6R,7aS)-6-ethyl-1-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carbonyl]amino]-3-methylpentanoic acid

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Identifiers

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