(2S)-4-(2-chloroethyl)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-3-methyl-1,2-dihydropyrrol-5-one (Q105123263)

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chemical compound

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Language	Label	Description	Also known as
English	(2S)-4-(2-chloroethyl)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-3-methyl-1,2-dihydropyrrol-5-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

4-(2-Chloroethyl)-2-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-1,2-dihydropyrrol-5-one

1 reference

based on heuristic

inferred from SMILES

mass

269.11825656 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-4-(2-chloroethyl)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-3-methyl-1,2-dihydropyrrol-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₀ClNO₂

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canonical SMILES

CC1=C(CCCl)C(=O)NC1C(O)C1C=CCCC1

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isomeric SMILES

CC1=C(CCCl)C(=O)N[C@@H]1[C@@H](O)[C@@H]1C=CCCC1

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found in taxon

Salinispora tropica

2 references

stated in

New cytotoxic salinosporamides from the marine Actinomycete Salinispora tropica

stated in

New cytotoxic salinosporamides from the marine Actinomycete Salinispora tropica

Identifiers

InChI

InChI=1S/C14H20ClNO2/c1-9-11(7-8-15)14(18)16-12(9)13(17)10-5-3-2-4-6-10/h3,5,10,12-13,17H,2,4,6-8H2,1H3,(H,16,18)/t10-,12+,13+/m1/s1

0 references

InChIKey

IZKIYDNYHNTWOM-WXHSDQCUSA-N

0 references

PubChem CID

11149889

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

IZKIYDNYHNTWOM-WXHSDQCUSA-N

ChEBI ID

198230

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C14H20ClNO2/c1-9-11(7-8-15)14(18)16-12(9)13(17)10-5-3-2-4-6-10/h3,5,10,12-13,17H,2,4,6-8H2,1H3,(H,16,18)/t10-,12+,13+/m1/s1

UniChem compound ID

33074729

1 reference

stated in

UniChem

Natural Product Atlas ID

NPA000796

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

IZKIYDNYHNTWOM-WXHSDQCUSA-N

 

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