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(2S)-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
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ChemBase ID:
151587
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Molecular Formular:
C36H37N5O5
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Molecular Mass:
619.70948
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Monoisotopic Mass:
619.27946931
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SMILES and InChIs
SMILES:
CN(C)c1ccc(cc1)/N=N/c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
O=C(N[C@H](C(=O)O)CCCCNC(=O)c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C36H37N5O5/c1-41(2)27-20-18-26(19-21-27)40-39-25-16-14-24(15-17-25)34(42)37-22-8-7-13-33(35(43)44)38-36(45)46-23-32-30-11-5-3-9-28(30)29-10-4-6-12-31(29)32/h3-6,9-12,14-21,32-33H,7-8,13,22-23H2,1-2H3,(H,37,42)(H,38,45)(H,43,44)/t33-/m0/s1
InChIKey:
FPOPWTDBGMLRNG-XIFFEERXSA-N
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Cite this record
CBID:151587 http://www.chembase.cn/molecule-151587.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S)-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
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IUPAC Traditional name
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(2S)-6-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
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Synonyms
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Fmoc-Lys(Dabcyl)-OH
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Nε-4-[4-(Dimethylamino)phenylazo)benzoyl]-Nα-Fmoc-L-lysine
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Nα-Fmoc-Nε-Dabcyl-L-lysine
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Nε-4-[4-(二甲氨基)苯偶氮基)苯甲酰基]-Nα-Fmoc-L-赖氨酸
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Nα-Fmoc-Nε-Dabcyl-L-赖氨酸
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CAS Number
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MDL 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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3.887706
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H Acceptors
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7
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H Donor
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3
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LogD (pH = 5.5)
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5.1924253
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LogD (pH = 7.4)
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3.7546096
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Log P
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6.409601
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Molar Refractivity
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180.7512 cm3
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Polarizability
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68.002335 Å3
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Polar Surface Area
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132.69 Å2
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Rotatable Bonds
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14
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
55788
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Other Notes Building block for the synthesis of fluorogenic protease substrates1,2 Packaging 500 mg in poly tube |
PATENTS
PATENTS
PubChem Patent
Google Patent