CAS No.: 26988-72-7 — 1-Methyl-DL-tryptophan (1-甲基-DL-色氨酸)

1. Primary Information

English name:	1-Methyl-DL-tryptophan
CAS No.:	26988-72-7
Molecular formula:	C₁₂H₁₄N₂O₂
Molecular weight:	218.25 g/mol
SMILES:	CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N
Structural class:
Other identifiers:	1-methyl-DL-Trp 1-methyltryptophan indoximod

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	≥97%	320	RT	in stock	-
Kehua Intelligence	1g	≥97%	960	RT	in stock	-
Kehua Intelligence	5g	≥97%	3200	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 1 0 0 0 0 0999 V2000 2.1526 0.6963 -1.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 0.9507 -0.2505 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 1.6760 0.3266 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.7245 0.4087 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2319 0.0163 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 -0.7253 1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.5472 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 0.5154 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0876 1.3846 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -0.9865 -0.0478 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4560 -1.8633 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 0.3268 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7114 3.0169 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -2.0671 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 -0.9874 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 0.3183 -0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -0.1630 1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 -1.6834 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 2.1693 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -1.5717 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 -2.7163 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 1.1630 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 3.1102 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 3.7429 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9981 3.1758 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -3.0801 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6227 -1.1687 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1854 -1.9658 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -2.6087 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4656 1.5355 -2.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 30 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-amino-3-(1-methylindol-3-yl)propanoic acid

4.2 InChI

InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)