Fmoc-asp(ochex)-oh

C25H27NO6CAS 130304-80-2437.49 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C25H27NO6
Molar mass
437.49 g/mol
Exact mass
437.1838 Da
logP
4.24Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
130304-80-2
SMILES
C1CCC(CC1)OC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
OCMZRMNYEXIKQI-QFIPXVFZSA-N
InChI
InChI=1S/C25H27NO6/c27-23(32-16-8-2-1-3-9-16)14-22(24(28)29)26-25(30)31-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16,21-22H,1-3,8-9,14-15H2,(H,26,30)(H,28,29)/t22-/m0/s1

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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