(2S)-5-carbamimidamido-2-({6-methylimidazo[1,2-a]pyridin-2-yl}formamido)pentanoic acid

• ChemBase ID: 834181
• Molecular Formular: C15H20N6O3
• Molecular Mass: 332.3577
• Monoisotopic Mass: 332.15968853
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N[C@H](C(=O)O)CCCNC(=N)N
• Canonical SMILES: NC(=N)NCCC[C@@H](C(=O)O)NC(=O)c1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C15H20N6O3/c1-9-4-5-12-19-11(8-21(12)7-9)13(22)20-10(14(23)24)3-2-6-18-15(16)17/h4-5,7-8,10H,2-3,6H2,1H3,(H,20,22)(H,23,24)(H4,16,17,18)/t10-/m0/s1
• InChIKey: IIZOJCQHSWBXJJ-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-5-carbamimidamido-2-({6-methylimidazo[1,2-a]pyridin-2-yl}formamido)pentanoic acid
• IUPAC Traditional name: (2S)-5-carbamimidamido-2-({6-methylimidazo[1,2-a]pyridin-2-yl}formamido)pentanoic acid
• Synonyms: N~2~-[(6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-L-arginine

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.9074352
• H Acceptors: 7
• H Donor: 5
• LogD (pH = 5.5): -1.7938656
• LogD (pH = 7.4): -1.7755297
• Log P: -1.775379
• Molar Refractivity: 98.585 cm^3
• Polarizability: 32.55328 Å^3
• Polar Surface Area: 145.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 5
• Log P: -0.45
• LOG S: -2.55
• Polar Surface Area: 145.6 Å^2
• Rotatable Bonds: 8