N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine (Q27451095)

N-[(4s)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)-L-Cysteinylglycine (English)

19 October 2016

chemical formula

C₁₇H₂₃BrN₃O₆S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+])Br

1 reference

N-[(4s)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)-L-Cysteinylglycine (English)

19 October 2016

isomeric SMILES

C1=CC(=CC=C1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br

1 reference

N-[(4s)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)-L-Cysteinylglycine (English)

InChI=1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/p+1/t12-,13-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

N-[(4s)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)-L-Cysteinylglycine (English)

HMNYAPVDRLKBJH-STQMWFEESA-O

19 October 2016

InChIKey

1 reference

N-[(4s)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)-L-Cysteinylglycine (English)

19 October 2016

1 reference

N-[(4S)-4-Ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine (English)

19 October 2016

2 references

N-[(4s)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)-L-Cysteinylglycine (English)

matched by identifier from

19 October 2016

InChIKey

HMNYAPVDRLKBJH-STQMWFEESA-O

1 reference

0 references

1 reference

1AQV (English)

19 October 2016

1 reference

3FRC (English)