(Q27162528)

N-Benzoyl-D-phenylalanine (English)

9 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₁₅NO₃

1 reference

N-Benzoyl-D-phenylalanine (English)

9 October 2016

canonical SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2

1 reference

N-Benzoyl-D-phenylalanine (English)

9 October 2016

isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C2=CC=CC=C2

1 reference

N-Benzoyl-D-phenylalanine (English)

InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/t14-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

N-Benzoyl-D-phenylalanine (English)

9 October 2016

2 references

N-Benzoyl-D-phenylalanine (English)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

37002-52-1

1 reference

https://commonchemistry.cas.org/detail?cas_rn=37002-52-1

10 April 2021

1 reference

N-Benzoyl-D-phenylalanine (English)

9 October 2016

2 references

N-Benzoyl-D-phenylalanine (English)

matched by identifier from

9 October 2016

Reaxys registry number

2811418

1 reference

N-benzoyl-D-phenylalanine (English)

9 October 2016

ChEBI ID

90413

mapping relation type

2 references

N-benzoyl-D-phenylalanine (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/t14-/m1/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL302649 (English)

9 October 2016

1 reference

2 references

matched by identifier from