Fmoc-L-Glu(OtBu)-OH monohydrate

C₂₄H₂₉NO₇CAS 204251-24-1443.50 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₄H₂₉NO₇
Molar mass: 443.50 g/mol
Exact mass: 443.1944 Da
logP: 3.28Crippen estimate
Polar surface area: 133.4 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

204251-24-1

SMILES

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

InChIKey

NMBGBVUJSPZRDD-BDQAORGHSA-N

InChI

InChI=1S/C24H27NO6.H2O/c1-24(2,3)31-21(26)13-12-20(22(27)28)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19;/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28);1H2/t20-;/m0./s1

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Names and synonyms

1 names

Fmoc-glu(otbu)-oh H2O

Work with Fmoc-L-Glu(OtBu)-OH monohydrate

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

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

Elsewhere

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