(Q27101929)

1-carboxy-3-(L-histidin-2-yl)-N-methylpropan-1-aminium (English)

5 October 2016

chemical formula

C₁₁H₁₉N₄O₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH2+]C(CCC1=NC=C(N1)CC(C(=O)O)N)C(=O)O

1 reference

1-carboxy-3-(L-histidin-2-yl)-N-methylpropan-1-aminium (English)

5 October 2016

isomeric SMILES

C[NH2+]C(CCC1=NC=C(N1)C[C@@H](C(=O)O)N)C(=O)O

1 reference

1-carboxy-3-(L-histidin-2-yl)-N-methylpropan-1-aminium (English)

InChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1/t7-,8?/m0/s1

5 October 2016

Identifiers

InChI

1 reference

1-carboxy-3-(L-histidin-2-yl)-N-methylpropan-1-aminium (English)

YBMOTEQVMANKGX-JAMMHHFISA-O

5 October 2016

InChIKey

1 reference

1-carboxy-3-(L-histidin-2-yl)-N-methylpropan-1-aminium (English)

5 October 2016

1 reference

3-{4-[(2S)-2-Amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N-methyl-1-propanaminium (English)

5 October 2016

1 reference

1-carboxy-3-(L-histidin-2-yl)-N-methylpropan-1-aminium (English)

5 October 2016

ChEBI ID

16475

mapping relation type

3 references

2-[3-carboxy-3-(methylammonio)propyl]-L-histidine (English)