chempirical

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

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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Work with Fmoc-asp(ochex)-oh

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-369 % similar Fmoc-lys-oh105047-45-868 % similar Fmoc-D-nle-oh112883-41-768 % similar Fmoc-L-aspartic acid119062-05-467 % similar Boc-asp(ofm)-oh117014-32-166 % similar Fmoc-D-asn-OH108321-39-766 % similar Fmoc-L-homophenylalanine132684-59-466 % similar Fmoc-D-arg-oh130752-32-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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