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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-{[(prop-2-en-1-yloxy)carbonyl]amino}pentanoic acid
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ChemBase ID:
139186
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Molecular Formular:
C24H26N2O6
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Molecular Mass:
438.47304
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Monoisotopic Mass:
438.17908656
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SMILES and InChIs
SMILES:
C=CCOC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
C=CCOC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C24H26N2O6/c1-2-14-31-23(29)25-13-7-12-21(22(27)28)26-24(30)32-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h2-6,8-11,20-21H,1,7,12-15H2,(H,25,29)(H,26,30)(H,27,28)/t21-/m0/s1
InChIKey:
RXLIOYNXBHZZBI-NRFANRHFSA-N
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Cite this record
CBID:139186 http://www.chembase.cn/molecule-139186.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-{[(prop-2-en-1-yloxy)carbonyl]amino}pentanoic acid
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IUPAC Traditional name
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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-{[(prop-2-en-1-yloxy)carbonyl]amino}pentanoic acid
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Synonyms
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Nα-Fmoc-Nδ-Alloc-L-ornithine
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Nδ-Alloc-Nα-Fmoc-L-ornithine
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Fmoc-Orn(Alloc)-OH
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Nα-芴甲氧羰基-Nδ-烯丙氧基羰基-L-鸟氨酸
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Nδ-Alloc-Nα-Fmoc-L-鸟氨酸
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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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3.674491
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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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1.8147867
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LogD (pH = 7.4)
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0.3226642
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Log P
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3.6382353
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Molar Refractivity
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117.5184 cm3
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Polarizability
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46.711792 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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12
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent