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Fmoc-Ile-Ile-Oh

CAT: 1299-RM-F131571-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F131571-01Size:10 mg
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CAS Number
2171279-24-4
Synonyms
(((9H-fluoren-9-yl) methoxy) carbonyl) -L-isoleucyl-L-isoleucine
Molecular Formula
C27H34N2O5
Molecular Weight
466.58
Target Alternative Name
Fmoc
Product Name Synonym
(((9H-fluoren-9-yl) methoxy) carbonyl) -L-isoleucyl-L-isoleucine

Chemical Information

(2S,3S)-2-((2S,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanamido)-3-methylpentanoic acid
CAS Number2171279-24-4
PubChem CID154727514
IUPAC Name(2S,3S)-2-[[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-3-methylpentanoic acid
Molecular FormulaC27H34N2O5
Molecular Weight466.6
XLogP5.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity691
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H34N2O5/c1-5-16(3)23(25(30)28-24(26(31)32)17(4)6-2)29-27(33)34-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,28,30)(H,29,33)(H,31,32)/t16-,17-,23-,24-/m0/s1
InChIKey
BOMKHCPYXVNVPY-KTIFSJKTSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S)-2-((2S,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanamido)-3-methylpentanoic acid
CAS: 2171279-24-4
CID: 154727514
Formula: C27H34N2O5
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass466.24677219
Monoisotopic Mass466.24677219
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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