Fmoc-4-(2-(boc-amino)ethoxy)-L-phenylalanine

C₃₁H₃₄N₂O₇CAS 1013883-02-7546.62 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₃₁H₃₄N₂O₇
Molar mass: 546.62 g/mol
Exact mass: 546.2366 Da
logP: 5.12Crippen estimate
Polar surface area: 123.2 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1013883-02-7

SMILES

CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

BQFZEDGXSYOUAW-MHZLTWQESA-N

InChI

InChI=1S/C31H34N2O7/c1-31(2,3)40-29(36)32-16-17-38-21-14-12-20(13-15-21)18-27(28(34)35)33-30(37)39-19-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,26-27H,16-19H2,1-3H3,(H,32,36)(H,33,37)(H,34,35)/t27-/m0/s1

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Names and synonyms

1 names

Fmoc-4-[2-(boc-amino)ethoxy]-L-phenylalanine

Work with Fmoc-4-(2-(boc-amino)ethoxy)-L-phenylalanine

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

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-974 % similar Fmoc-D-phe(4-NHBoc)-OH214750-77-373 % similar Fmoc-dab(boc)-oh125238-99-572 % similar (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-572 % similar Boc-D-phe(4-nhfmoc)-oh173054-11-072 % similar Fmoc-P-carboxy-phe(otbu)-oh183070-44-271 % similar Fmoc-D-orn(boc)-oh118476-89-470 % similar Fmoc-D-tyr(bzl)-oh138775-48-170 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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