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Mg132
CAS: 133407-82-6 | C26H41N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
133407-82-6
Molecular Formula:
C26H41N3O5
Molecular Mass:
475.63 g/mol
Names and Synonyms:
Mg132
L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-
L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-(1-formyl-3-methylbutyl)-, (S)-
N-[(Phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-L-leucinamide
MG 132
Calpain inhibitor IV-2
Identifiers:
SMILES:
CC(C)C[C@@H](C=O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)OCc1ccccc1
InChI:
InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
Key Properties
Melting Point
80-84 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 475.63 g/mol | CAS Common Chemistry |
| 475.6300000000002 g/mol | RDKit | |
| 475.304621412 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/MG132 | CAS Common Chemistry |
| Canonical SMILES | O=CC(NC(=O)C(NC(=O)C(NC(=O)OCC=1C=CC=CC1)CC(C)C)CC(C)C)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=TZYWCYJVHRLUCT-VABKMULXSA-N | CAS Common Chemistry |
| Melting Point | 80-84 °C (decomp) | CAS Common Chemistry |
| Name | N-[(Phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-L-leucinamide | CAS Common Chemistry |
| MG132 | CAS Common Chemistry | |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 124.07000000000001 Ų | RDKit |
| LogP | 5.473200000000005 | RDKit |
| Molar Refractivity | 137.21539999999996 | RDKit |
