N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester

C₂₄H₂₇NO₆CAS 152548-66-8425.48 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₄H₂₇NO₆
Molar mass: 425.48 g/mol
Exact mass: 425.1838 Da
logP: 4.05Crippen estimate
Polar surface area: 93.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

152548-66-8

SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

CYWWLVIEAOUXGW-FQEVSTJZSA-N

InChI

InChI=1S/C24H27NO6/c1-24(2,3)31-21(26)13-20(22(27)28)25(4)23(29)30-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,27,28)/t20-/m0/s1

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Names and synonyms

1 names

Fmoc-N-methyl-L-aspartic acid 4-tert-butyl ester

Work with N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-L-aspartic acid beta-t-butyl ester

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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-167 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-tyrosine133373-24-767 % similar Fmoc-N-methyl-L-norleucine112883-42-865 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-364 % similar O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine117106-20-463 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-762 % similar Fmoc-L-asp(otbu)-oh71989-14-562 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine84000-11-360 % similar

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

Same formula

Fmoc-D-glu-otbu109745-15-5 Boc-glu(ofm)-oh123417-18-5 N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-9

Elsewhere

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