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N-Acetyl-L-Tryptophan | SBID = 62 | Compound |
Structure
Molecular Properties
Interactions: |
6
|
PubChem TPSA/Å2: |
82.2 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
1.1 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
3.0 |
Number of H-Bond Acceptors: |
3.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
1.0 |
3D Volume/Å3: |
190.3 |
Sum Formula: |
C13H14N2O3 |
M / g/mol: |
246.266 |
Complexity: |
332.0 |
Number of Conformers: |
10.0 |
Identifiers
-
Tags:
aromatic, amino acid, typical guest
-
Name:
N-Acetyl-L-Tryptophan
-
Preferred Abbreviation:
N-Acetyl-L-Trp
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IUPAC Name:
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
-
CAS:
1218-34-4
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CID:
700653
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InChiKey:
DZTHIGRZJZPRDV-LBPRGKRZSA-N
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InChi:
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)/t12-/m0/s1
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CanoSmiles:
CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
-
IsoSmiles:
CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O