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Benzyloxycarbonyl-L-Arginine
CAS: 1234-35-1 | C14H20N4O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1234-35-1
Molecular Formula:
C14H20N4O4
Molecular Mass:
308.34 g/mol
Names and Synonyms:
Benzyloxycarbonyl-L-Arginine
L-Arginine, N2-[(phenylmethoxy)carbonyl]-
Arginine, N2-carboxy-, N2-benzyl ester, L-
Arginine, N2-carboxy-, N-benzyl ester
L-Arginine, N2-carboxy-, N-benzyl ester
N2-[(Phenylmethoxy)carbonyl]-L-arginine
Benzyloxycarbonyl-L-arginine
N2-Benzyloxycarbonyl-L-arginine
N-Carbobenzoxyarginine
Nα-(Benzyloxycarbonyl)arginine
(2S)-2-[[(Benzyloxy)carbonyl]amino]-5-carbamimidamidopentanoic acid
(2S)-5-(Diaminomethylideneazaniumyl)-2-(phenylmethoxycarbonylamino)pentanoate
Identifiers:
SMILES:
N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChI:
InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1
Key Properties
Melting Point
175 °C
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 | 308.34 g/mol | CAS Common Chemistry |
| 308.3380000000001 g/mol | RDKit | |
| 308.14845511999994 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SJSSFUMSAFMFNM-NSHDSACASA-N | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | Benzyloxycarbonyl-L-arginine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 141.02 Ų | RDKit |
| LogP | 0.8336700000000001 | RDKit |
| Molar Refractivity | 81.86940000000004 | RDKit |
