CAS No.: 150145-89-4 — (S)-Mcpg ((+)-Alpha-Methyl-4-Carboxyphenylglycine)

1. Primary Information

English name:	(S)-Mcpg
CAS No.:	150145-89-4
Molecular formula:	C₁₀H₁₁NO₄
Molecular weight:	209.20 g/mol
SMILES:	CC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N
Structural class:
Other identifiers:	2-methyl-4-carboxyphenylglycine alpha-MCPG alpha-methyl-4-carboxyphenylglycine alpha-methyl-CPGly LY-367385

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	98%	640	RT	in stock	-
Kehua Intelligence	10mg	98%	880	RT	in stock	-
Kehua Intelligence	25mg	98%	1840	RT	in stock	-
Kehua Intelligence	50mg	98%	3160	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 1 0 0 0 0 0999 V2000 2.6049 1.1122 -1.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6143 1.3843 0.4655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 1.4478 0.1932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3898 -0.7327 -0.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 -0.8604 1.5544 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -0.5290 0.1823 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5998 -0.3442 0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 -1.6536 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1835 -1.4414 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 0.9105 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 0.7551 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 -1.2736 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 1.0781 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1259 -0.0140 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5685 0.1609 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -1.6222 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3049 -1.5653 -1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4029 -2.6519 -0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2174 -2.4359 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6957 1.7741 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -0.0864 2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 -0.9796 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 -2.1376 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 2.0748 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 1.9189 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9205 1.5550 0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 11 2 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-[(1S)-1-amino-1-carboxyethyl]benzoic acid

4.2 InChI

InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

4.3 InChIKey

DNCAZYRLRMTVSF-JTQLQIEISA-N

4.4 Canonical SMILES

CC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

4.5 Isomeric SMILES

C[C@](C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)