(2R)-2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanoic acid

• ChemBase ID: 156720
• Molecular Formular: C14H20N4O4
• Molecular Mass: 308.333
• Monoisotopic Mass: 308.14845514
• SMILES: c1ccc(cc1)COC(=O)N[C@H](CCCNC(=N)N)C(=O)O
• Canonical SMILES: NC(=N)NCCC[C@H](C(=O)O)NC(=O)OCc1ccccc1
• 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-/m1/s1
• InChIKey: SJSSFUMSAFMFNM-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanoic acid
• IUPAC Traditional name: (2R)-2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanoic acid
• Synonyms: Nα-Z-D-arginine; Z-D-Arg-OH; N-α-苄氧羰基-D-精氨酸

Database IDs

• CAS Number: 6382-93-0
• MDL Number: MFCD00063009
• Beilstein Number: 2011877
• PubChem SID: 24890218; 162250857
• PubChem CID: 1581108

CALCULATED PROPERTIES

• Acid pKa: 3.545647
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -0.9752472
• LogD (pH = 7.4): -0.9713254
• Log P: -0.9713116
• Molar Refractivity: 89.6031 cm^3
• Polarizability: 30.55152 Å^3
• Polar Surface Area: 137.53 Å^2
• Rotatable Bonds: 9
• 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

Product Information

• Purity: ≥98.0% (HPLC)
• Empirical Formula (Hill Notation): C14H20N4O4