2-Amino-4-(4-Amino-Cyclohexa-2,5-Dienyl)-Butyric Acid (Q27093674)

(2S)-2-Amino-4-(cis-4-amino-2,5-cyclohexadien-1-yl)butanoic acid (English)

(2s)-2-Amino-4-(4-aminocyclohexa-2,5-dien-1-yl)butanoic acid

4 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₁₀H₁₆N₂O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(C=CC1CCC(C(=O)O)N)N

1 reference

(2S)-2-Amino-4-(cis-4-amino-2,5-cyclohexadien-1-yl)butanoic acid (English)

InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8+,9-/m0/s1

4 October 2016

isomeric SMILES

N[C@@H](CC[C@H]1C=C[C@@H](N)C=C1)C(=O)O

0 references

Identifiers

InChI

1 reference

(2S)-2-Amino-4-(cis-4-amino-2,5-cyclohexadien-1-yl)butanoic acid (English)

LAJWZJCOWPUSOA-YIZRAAEISA-N

4 October 2016

InChIKey

1 reference

(2S)-2-Amino-4-(cis-4-amino-2,5-cyclohexadien-1-yl)butanoic acid (English)

4 October 2016

1 reference

(2S)-2-Amino-4-(cis-4-amino-2,5-cyclohexadien-1-yl)butanoic acid (English)

4 October 2016

1 reference

2-Amino-4-(4-Amino-Cyclohexa-2,5-Dienyl)-Butyric Acid (English)