(Q27125022)

(2R)-2-acetamido-3-(1H-indol-3-yl)propanoate (English)

6 October 2016

chemical formula

C₁₃H₁₃N₂O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-]

1 reference

(2R)-2-acetamido-3-(1H-indol-3-yl)propanoate (English)

6 October 2016

isomeric SMILES

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)[O-]

1 reference

(2R)-2-acetamido-3-(1H-indol-3-yl)propanoate (English)

InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/p-1/t12-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

(2R)-2-acetamido-3-(1H-indol-3-yl)propanoate (English)

DZTHIGRZJZPRDV-GFCCVEGCSA-M

6 October 2016

InChIKey

2 references

(2R)-2-acetamido-3-(1H-indol-3-yl)propanoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-Acetamido-3-(1H-indol-3-yl)propanoate (English)

6 October 2016

1 reference

(2R)-2-acetamido-3-(1H-indol-3-yl)propanoate (English)

6 October 2016

Reaxys registry number

5294452

1 reference

N-acetyl-D-tryptophanate (English)

6 October 2016

ChEBI ID

57877

mapping relation type

1 reference