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Molecule
N-[(Phenylmethoxy)Carbonyl]Glycyl-L-Phenylalanine
CAS: 1170-76-9 · C19H20N2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1170-76-9
- Molecular Formula
- C19H20N2O5
- Molecular Mass
- 356.38 g/mol
Identifiers
CAS Registry Number
1170-76-9
SMILES
O=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)OCc1ccccc1
InChI Key
FLGYJBNDDWLTQR-INIZCTEOSA-N
InChI
InChI=1S/C19H20N2O5/c22-17(12-20-19(25)26-13-15-9-5-2-6-10-15)21-16(18(23)24)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,25)(H,21,22)(H,23,24)/t16-/m0/s1
Names and Synonyms
- N-[(Phenylmethoxy)Carbonyl]Glycyl-L-Phenylalanine Common Name
- L-Phenylalanine, N-[(phenylmethoxy)carbonyl]glycyl- Synonym
- Alanine, N-(N-carboxyglycyl)-3-phenyl-, N-benzyl ester, L- Synonym
- L-Phenylalanine, N-[N-[(phenylmethoxy)carbonyl]glycyl]- Synonym
- L-Alanine, N-(N-carboxyglycyl)-3-phenyl-, N-benzyl ester Synonym
- N-[(Phenylmethoxy)carbonyl]glycyl-L-phenylalanine Synonym
- (Carbobenzoxy)glycyl-L-phenylalanine Synonym
- N-(Benzyloxycarbonyl)glycyl-L-phenylalanine Synonym
- (Carbobenzyloxy)glycyl-L-phenylalanine Synonym
- N-(Carbobenzoxy)glycyl-L-phenylalanine Synonym
- N-(Carbobenzyloxy)glycyl-L-phenylalanine Synonym
- (Carbobenzoxy)glycylphenylalanine Synonym
- N-(Benzyloxycarbonyl)glycylphenylalanine Synonym
- NSC 89642 Synonym
- (2S)-2-[[2-(Benzyloxycarbonylamino)acetyl]amino]-3-phenyl-propanoic acid Synonym
- (2S)-3-Phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 356.38 g/mol | CAS Common Chemistry |
| 356.3780000000001 g/mol | RDKit | |
| 356.378 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NCC(=O)NC(C(=O)O)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C19H20N2O5/c22-17(12-20-19(25)26-13-15-9-5-2-6-10-15)21-16(18(23)24)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,25)(H,21,22)(H,23,24)/t16-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FLGYJBNDDWLTQR-INIZCTEOSA-N | CAS Common Chemistry |
| Melting Point | 125-126 °C | CAS Common Chemistry |
| Name | N-[(Phenylmethoxy)carbonyl]glycyl-L-phenylalanine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 111.71000000000001 Ų | RDKit |
| 111.71 Ų | RDKit | |
| LogP | 2.7696000000000014 | RDKit |
| 2.7696 | RDKit | |
| Molar Refractivity | 97.79540000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2105 | RDKit |
| 0.21 | chempirical lib | |
| Exact Mass | 356.13722174 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 356.38 g/mol. Edit any field — others recompute live.
