(Q27466795)

(S)-2-Amino-3-(2-(2-Carboxyethyl)-5-Chloro-4-Nitrophenyl)propionic Acid (English)

19 October 2016

chemical formula

C₁₂H₁₃ClN₂O₆

1 reference

(S)-2-Amino-3-(2-(2-Carboxyethyl)-5-Chloro-4-Nitrophenyl)propionic Acid (English)

19 October 2016

canonical SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])Cl)CC(C(=O)O)N)CCC(=O)O

1 reference

(S)-2-Amino-3-(2-(2-Carboxyethyl)-5-Chloro-4-Nitrophenyl)propionic Acid (English)

19 October 2016

isomeric SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O

1 reference

(S)-2-Amino-3-(2-(2-Carboxyethyl)-5-Chloro-4-Nitrophenyl)propionic Acid (English)

InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)/t9-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(S)-2-Amino-3-(2-(2-Carboxyethyl)-5-Chloro-4-Nitrophenyl)propionic Acid (English)

DRCLPFURMHGQPC-VIFPVBQESA-N

19 October 2016

InChIKey

1 reference

(S)-2-Amino-3-(2-(2-Carboxyethyl)-5-Chloro-4-Nitrophenyl)propionic Acid (English)

19 October 2016

1 reference

2-(2-Carboxyethyl)-5-chloro-4-nitro-L-phenylalanine (English)

19 October 2016

2 references

(S)-2-Amino-3-(2-(2-Carboxyethyl)-5-Chloro-4-Nitrophenyl)propionic Acid (English)

matched by identifier from

19 October 2016

InChIKey

DRCLPFURMHGQPC-VIFPVBQESA-N

1 reference

CHEMBL1835337 (English)

19 October 2016

1 reference

0 references

1 reference

4DLD (English)

19 October 2016

1 reference

3TZA (English)