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Fmoc-Dab (Mtt) -OH

CAT: 0127-OR1013336Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1013336Size:1 Each
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CAS Number
851392-68-2
MDL Number
MFCD02094096
Purity
98%
Smiles
O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCNC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C)C=C6

Chemical Information

Fmoc-Dab(Mtt)-OH
CAS Number851392-68-2
PubChem CID46737288
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[(4-methylphenyl)-diphenylmethyl]amino]butanoic acid
Molecular FormulaC39H36N2O4
Molecular Weight596.7
XLogP5.4
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity911
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C39H36N2O4/c1-27-20-22-30(23-21-27)39(28-12-4-2-5-13-28,29-14-6-3-7-15-29)40-25-24-36(37(42)43)41-38(44)45-26-35-33-18-10-8-16-31(33)32-17-9-11-19-34(32)35/h2-23,35-36,40H,24-26H2,1H3,(H,41,44)(H,42,43)/t36-/m0/s1
InChIKey
RXKBBKLPMHPIKD-BHVANESWSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Dab(Mtt)-OH
CAS: 851392-68-2
CID: 46737288
Formula: C39H36N2O4
MW: 596.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.7
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass596.26750763
Monoisotopic Mass596.26750763
Topological Polar Surface Area87.7 Ų
Heavy Atom Count45
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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5-04734Fmoc-Dab(Mtt)-OH
450605-01Fmoc-dab (mtt) -oh
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4025724.0025Fmoc-Lys(Mtt)-OH
B-2045.0025Fmoc-Asn(Mtt)-OH
4017007.0005Fmoc-Asn (Mtt) -OH
450456-01Fmoc-cys (mtt) -oh
MBS405057-01Fmoc-Orn(Mtt)-OH
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