benzylmercapturic acid (Q4890819)

N-Acetyl-S-benzyl-L-cysteine (English)

N-Acetyl-S-benzyl-D-cysteine

14 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₅NO₃S

1 reference

N-Acetyl-S-benzyl-L-cysteine (English)

14 October 2016

canonical SMILES

CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

1 reference

N-Acetyl-S-benzyl-L-cysteine (English)

14 October 2016

isomeric SMILES

CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)O

1 reference

N-Acetyl-S-benzyl-L-cysteine (English)

InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

N-Acetyl-S-benzyl-L-cysteine (English)

14 October 2016

1 reference

Global Substance Registration System

N-Acetyl-S-benzyl-L-cysteine (English)

14 October 2016

2 references

UNII

X3H719RFPT

benzylmercapturic acid (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=19542-77-9

8 April 2021

1 reference

Benzylmercapturic acid (English)

14 October 2016

2 references

N-Acetyl-S-benzyl-L-cysteine (English)

14 October 2016

ChEBI ID

165854

mapping relation type

exact match

1 reference

stated in

ChEBI release 2021-03-01

194360

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1

SureChEMBL ID

SCHEMBL7282451

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

X3H719RFPT

benzylmercapturic acid (English)

14 October 2016