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(2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
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ChemBase ID:
132112
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Molecular Formular:
C29H30N2O6
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Molecular Mass:
502.5583
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Monoisotopic Mass:
502.21038669
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SMILES and InChIs
SMILES:
c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
O=C(OCc1ccccc1)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C29H30N2O6/c32-27(33)26(16-8-9-17-30-28(34)36-18-20-10-2-1-3-11-20)31-29(35)37-19-25-23-14-6-4-12-21(23)22-13-5-7-15-24(22)25/h1-7,10-15,25-26H,8-9,16-19H2,(H,30,34)(H,31,35)(H,32,33)/t26-/m0/s1
InChIKey:
KRULQRVJXQQPQH-SANMLTNESA-N
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Cite this record
CBID:132112 http://www.chembase.cn/molecule-132112.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
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IUPAC Traditional name
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(2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
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Synonyms
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Nα-Fmoc-Nε-Z-L-lysine
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Fmoc-Lys(Z)-OH
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Nα-Fmoc-Nε-Z-L-赖氨酸
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CAS Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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3.64854
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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3.227517
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LogD (pH = 7.4)
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1.7505487
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Log P
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5.0760274
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Molar Refractivity
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137.5693 cm3
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Polarizability
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54.69445 Å3
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Polar Surface Area
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113.96 Å2
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Rotatable Bonds
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13
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent