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Fmoc-Dab (ivDde) -OH

CAT: 0121-4066591.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4066591.0001Size:1 g
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CAS Number
607366-21-2
Specifications
B-4065.0001
Sequence
Fmoc-Dab (ivDde) -OH
Molecular Formula
C₃₂H₃₈N₂O₆
Molecular Weight
546.66
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)butanoic acid
CAS Number607366-21-2
PubChem CID135638422
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]butanoic acid
Molecular FormulaC32H38N2O6
Molecular Weight546.7
XLogP5.2
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity993
SMILES
CC(C)CC(=NCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C32H38N2O6/c1-19(2)15-26(29-27(35)16-32(3,4)17-28(29)36)33-14-13-25(30(37)38)34-31(39)40-18-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,19,24-25,35H,13-18H2,1-4H3,(H,34,39)(H,37,38)/t25-/m0/s1
InChIKey
IMMMALLSYWTSAX-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)butanoic acid
CAS: 607366-21-2
CID: 135638422
Formula: C32H38N2O6
MW: 546.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.7
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass546.27298694
Monoisotopic Mass546.27298694
Topological Polar Surface Area125 Ų
Heavy Atom Count40
Formal Charge0
Complexity993
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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