Boc-asp(ofm)-oh

C₂₃H₂₅NO₆CAS 117014-32-1411.45 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₃H₂₅NO₆
Molar mass: 411.45 g/mol
Exact mass: 411.1682 Da
logP: 3.71Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

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

Identifiers

CAS number

117014-32-1

SMILES

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

InChIKey

NHLRMCFWGFPSLT-IBGZPJMESA-N

InChI

InChI=1S/C23H25NO6/c1-23(2,3)30-22(28)24-19(21(26)27)12-20(25)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1

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Names and synonyms

1 names

N-Alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester

Work with Boc-asp(ofm)-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

Boc-glu(ofm)-oh123417-18-583 % similar Boc-dap(fmoc)-oh122235-70-578 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-076 % similar Fmoc-D-dap(boc)-oh198544-42-276 % similar Boc-orn(fmoc)-oh150828-96-975 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-075 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-575 % similar Fmoc-D-orn(boc)-oh118476-89-474 % similar

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

Same formula

Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-3 N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-3 (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-9 Fmoc-D-asp-otbu134098-70-7 Fmoc-L-asp(OtBu)-OH71989-14-5

Elsewhere

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