Fmoc-asp(ompe)-oh

C₂₅H₂₉NO₆CAS 180675-08-5439.51 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₅H₂₉NO₆
Molar mass: 439.51 g/mol
Exact mass: 439.1995 Da
logP: 4.49Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 9
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

180675-08-5

SMILES

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

InChIKey

SYGKUYKLHYQKPL-NRFANRHFSA-N

InChI

InChI=1S/C25H29NO6/c1-4-25(3,5-2)32-22(27)14-21(23(28)29)26-24(30)31-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1

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Work with Fmoc-asp(ompe)-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

Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-379 % similar Boc-asp(ofm)-oh117014-32-172 % similar Fmoc-L-aspartic acid119062-05-468 % similar Fmoc-D-asp-oh136083-57-368 % similar Fmoc-D-asn-OH108321-39-767 % similar Fmoc-L-aspartic acid 4-benzyl ester86060-84-667 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-566 % similar Fmoc-D-abu-oh170642-27-066 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-0 Fmoc-N-methyl-L-glutamic acid 5-tert-butyl ester200616-40-6 Fmoc-beta-Hoglu(Otbu)-OH203854-49-3

Elsewhere

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