Fmoc-L-aspartic acid-1-benzyl ester

C₂₆H₂₃NO₆CAS 86060-83-5445.47 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₆H₂₃NO₆
Molar mass: 445.47 g/mol
Exact mass: 445.1525 Da
logP: 4.11Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8
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

86060-83-5

SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

CBZSVHFNEMONDZ-QHCPKHFHSA-N

InChI

InChI=1S/C26H23NO6/c28-24(29)14-23(25(30)32-15-17-8-2-1-3-9-17)27-26(31)33-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,31)(H,28,29)/t23-/m0/s1

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Names and synonyms

1 names

Fmoc-asp-OBzl

Work with Fmoc-L-aspartic acid-1-benzyl 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

Fmoc-glu-obzl122350-52-181 % similar Z-Asp-obzl4779-31-178 % similar Fmoc-asp-oall144120-53-672 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-370 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-970 % similar Fmoc-D-asp-otbu134098-70-770 % similar Fmoc-L-aspartic acid119062-05-470 % similar Fmoc-D-asp-oh136083-57-370 % similar

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

Same formula

4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate150009-58-8 Fmoc-L-aspartic acid 4-benzyl ester86060-84-6

Elsewhere

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