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Molecule
N2-[(Phenylmethoxy)Carbonyl]-N-(Triphenylmethyl)-L-Glutamine
CAS: 132388-60-4 · C32H30N2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 132388-60-4
- Molecular Formula
- C32H30N2O5
- Molecular Mass
- 522.60 g/mol
Identifiers
CAS Registry Number
132388-60-4
SMILES
O=C(O)[C@H](CCC(O)=NC(c1ccccc1)(c1ccccc1)c1ccccc1)N=C(O)OCc1ccccc1
InChI Key
MYOAIKMOWHPBQS-NDEPHWFRSA-N
InChI
InChI=1S/C32H30N2O5/c35-29(22-21-28(30(36)37)33-31(38)39-23-24-13-5-1-6-14-24)34-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2,(H,33,38)(H,34,35)(H,36,37)/t28-/m0/s1
Names and Synonyms
- N2-[(Phenylmethoxy)Carbonyl]-N-(Triphenylmethyl)-L-Glutamine Common Name
- L-Glutamine, N2-[(phenylmethoxy)carbonyl]-N-(triphenylmethyl)- Synonym
- N2-[(Phenylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine Synonym
- (2S)-5-Oxo-2-(phenylmethoxycarbonylamino)-5-(tritylamino)pentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 522.60 g/mol | CAS Common Chemistry |
| 522.6010000000002 g/mol | RDKit | |
| 522.601 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCC(=O)NC(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C32H30N2O5/c35-29(22-21-28(30(36)37)33-31(38)39-23-24-13-5-1-6-14-24)34-32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2,(H,33,38)(H,34,35)(H,36,37)/t28-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MYOAIKMOWHPBQS-NDEPHWFRSA-N | CAS Common Chemistry |
| Name | N2-[(Phenylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 111.71000000000001 Ų | RDKit |
| 111.71 Ų | RDKit | |
| LogP | 6.299200000000005 | RDKit |
| 6.2992 | RDKit | |
| Molar Refractivity | 151.22439999999975 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1562 | RDKit |
| 0.16 | chempirical lib | |
| Exact Mass | 522.21547206 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 522.60 g/mol. Edit any field — others recompute live.
