(2R)-2-{[(benzyloxy)carbonyl]amino}-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid

• ChemBase ID: 151777
• Molecular Formular: C19H28N2O6
• Molecular Mass: 380.43542
• Monoisotopic Mass: 380.19473663
• SMILES: CC(C)(C)OC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCc1ccccc1
• Canonical SMILES: OC(=O)[C@H](NC(=O)OCc1ccccc1)CCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C19H28N2O6/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m1/s1
• InChIKey: DYSBKEOCHROEGX-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{[(benzyloxy)carbonyl]amino}-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid
• IUPAC Traditional name: (2R)-2-{[(benzyloxy)carbonyl]amino}-6-[(tert-butoxycarbonyl)amino]hexanoic acid
• Synonyms: Nα-Cbz-Nε-Boc-D-Lysine; Nα-Z-Nε-Boc-D-lysine; Z-D-Lys(Boc)-OH; Nα-Cbz-Nε-Boc-D-赖氨酸; Nα-Z-Nε-Boc-D-赖氨酸

Database IDs

• CAS Number: 66845-42-9
• MDL Number: MFCD00065699
• Beilstein Number: 5310107
• PubChem SID: 162245924; 24890238
• PubChem CID: 7269420

CALCULATED PROPERTIES

• Acid pKa: 3.637827
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.0852427
• LogD (pH = 7.4): -0.3853662
• Log P: 2.9440963
• Molar Refractivity: 98.3625 cm^3
• Polarizability: 38.651093 Å^3
• Polar Surface Area: 113.96 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.0% (TLC)
• Empirical Formula (Hill Notation): C19H28N2O6

DETAILS

Sigma Aldrich - 96019

Packaging
1 g in poly tube