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Fmoc-Glu (Odmab) -OH

CAT: 0127-OR1067967-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1067967-01Size:100 mg
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CAS Number
268730-86-5
MDL Number
MFCD00797873
Purity
98%
Smiles
O=C(N[C@H](C(O)=O)CCC(OCC1=CC=C(N/C(CC(C)C)=C(C2=O)/C(CC(C)(C)C2)=O)C=C1)=O)OCC(C3=C4C=CC=C3)C5=C4C=CC=C5

Chemical Information

Fmoc-Glu(ODmab)-OH
CAS Number268730-86-5
PubChem CID135742647
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[4-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]phenyl]methoxy]-5-oxopentanoic acid
Molecular FormulaC40H44N2O8
Molecular Weight680.8
XLogP6.5
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count50
Formal Charge0
Complexity1270
SMILES
CC(C)CC(=NC1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=C(CC(CC5=O)(C)C)O
InChI
InChI=1S/C40H44N2O8/c1-24(2)19-33(37-34(43)20-40(3,4)21-35(37)44)41-26-15-13-25(14-16-26)22-49-36(45)18-17-32(38(46)47)42-39(48)50-23-31-29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h5-16,24,31-32,43H,17-23H2,1-4H3,(H,42,48)(H,46,47)/t32-/m0/s1
InChIKey
BHDQEOLPKMRQEQ-YTTGMZPUSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Glu(ODmab)-OH
CAS: 268730-86-5
CID: 135742647
Formula: C40H44N2O8
MW: 680.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight680.8
XLogP36.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass680.30976637
Monoisotopic Mass680.30976637
Topological Polar Surface Area152 Ų
Heavy Atom Count50
Formal Charge0
Complexity1270
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