Boc-L-2,4-diaminobutyric acid(fmoc)

C₂₄H₂₈N₂O₆CAS 117106-21-5440.50 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₂₈N₂O₆
Molar mass: 440.50 g/mol
Exact mass: 440.1947 Da
logP: 3.89Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

117106-21-5

SMILES

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

InChIKey

MJZDTTZGQUEOBL-FQEVSTJZSA-N

InChI

InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-20(21(27)28)12-13-25-22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m0/s1

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Names and synonyms

1 names

Boc-dab(fmoc)-OH

Work with Boc-L-2,4-diaminobutyric acid(fmoc)

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-orn(boc)-oh118476-89-484 % similar Boc-dap(fmoc)-oh122235-70-581 % similar Boc-glu(ofm)-oh123417-18-577 % similar Boc-asp(ofm)-oh117014-32-175 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-372 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-170 % similar Fmoc-gla(otbu)2-oh111662-64-768 % similar Fmoc-4-[2-(boc-amino)ethoxy]-L-phenylalanine1013883-02-768 % similar

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

Same formula

Fmoc-dab(boc)-oh125238-99-5

Elsewhere

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