COC(=O)C(CC1=CNC2=CC=CC=C21)N
CAS: 4299-70-1
이름: methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
SMILES: COC(=O)C(CC1=CNC2=CC=CC=C21)N

Molecular Processing

Molecular formula
C12H14N2O2
Molecular weight
218.26
Exact mass
218.1055
XLogP
1.21
TPSA
68.11
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.99

Supplementary Information

InChIKey: KCUNTYMNJVXYKZ-JTQLQIEISA-N
동의어
4299-70-1L-Tryptophan methyl esterL-Tryptophan, methyl esterEINECS 224-309-7DTXSID30884057RefChem:798154DTXCID901023529Methyl L-tryptophanate(S)-methyl 2-amino-3-(1H-indol-3-yl)propanoateTryptophan methyl esterMFCD08144704L-Tryptophane methyl estermethyl (2S)-2-amino-3-(1H-indol-3-yl)propanoateTryptophan, methyl ester, L-(S)-2-Amino-3-(1H-indol-3-yl)-propionic acid methyl estermethyl tryptophanatetryptophan methylesterTrp-OMeTadalafil Impurity PH-L-Trp-OMeTrp-OCH3H-Trp-OCH3tryptophane methyl esterD_tryptophan methyl esterS-Tryptophan methyl esterZP5C4VEH76CHEMBL55830SCHEMBL122907L-Methyl ester tryptophan, 8racemic tryptophan methyl ester
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