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Fmoc-Asp (OMpe) -Cbz

CAT: 0013-GTR19281114-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281114-01Size:50 mg
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Description
Fmoc-Asp (OMpe) -Cbz is a pharmaceutical intermediate that is utilized in the synthesis of Fmoc-Asp (OMpe) -OH.
CAS Number
180675-10-9
Smiles
C (OC (N[C@@H] (CC (OC (CC) (CC) C) =O) C (OCC1=CC=CC=C1) =O) =O) C2C=3C (C=4C2=CC=CC4) =CC=CC3
Molecular Formula
C32H35NO6
Molecular Weight
529.63
Notes
For research use only.

Chemical Information

4-(1-Ethyl-1-methylpropyl) 1-(phenylmethyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate
CAS Number180675-10-9
PubChem CID101989342
IUPAC Name1-O-benzyl 4-O-(3-methylpentan-3-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate
Molecular FormulaC32H35NO6
Molecular Weight529.6
XLogP6.4
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count39
Formal Charge0
Complexity797
SMILES
CCC(C)(CC)OC(=O)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C32H35NO6/c1-4-32(3,5-2)39-29(34)19-28(30(35)37-20-22-13-7-6-8-14-22)33-31(36)38-21-27-25-17-11-9-15-23(25)24-16-10-12-18-26(24)27/h6-18,27-28H,4-5,19-21H2,1-3H3,(H,33,36)/t28-/m0/s1
InChIKey
SUBJOJHGYJUXHO-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of 4-(1-Ethyl-1-methylpropyl) 1-(phenylmethyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate
CAS: 180675-10-9
CID: 101989342
Formula: C32H35NO6
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass529.24643784
Monoisotopic Mass529.24643784
Topological Polar Surface Area90.9 Ų
Heavy Atom Count39
Formal Charge0
Complexity797
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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