(Q82164666)

English

(R)-1-(tert-Butoxycarbonyl)-2-(3-methylbenzyl)pyrrolidine-2-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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319.17835828 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

(S)-1-(tert-Butoxycarbonyl)-2-(3-methylbenzyl)pyrrolidine-2-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₅NO₄

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canonical SMILES

Cc1cccc(CC2(C(=O)O)CCCN2C(=O)OC(C)(C)C)c1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=CC(=CC=C1)C[C@]2(CCCN2C(=O)OC(C)(C)C)C(=O)O

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Identifiers

InChI=1S/C18H25NO4/c1-13-7-5-8-14(11-13)12-18(15(20)21)9-6-10-19(18)16(22)23-17(2,3)4/h5,7-8,11H,6,9-10,12H2,1-4H3,(H,20,21)/t18-/m1/s1

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ZIGTYSBIVWDRDS-GOSISDBHSA-N

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CAS Registry Number

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ZIGTYSBIVWDRDS-GOSISDBHSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=959576-63-7

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matched by identifier from

ZIGTYSBIVWDRDS-GOSISDBHSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

ZIGTYSBIVWDRDS-GOSISDBHSA-N

DSSTOX compound identifier

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