(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-(1-methyl-1H-indol-3-yl)propanoic acid

C₂₇H₂₄N₂O₄CAS 1334509-86-2440.50 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₇H₂₄N₂O₄
Molar mass: 440.50 g/mol
Exact mass: 440.1736 Da
logP: 4.71Crippen estimate
Polar surface area: 80.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1334509-86-2

SMILES

CN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChIKey

GDPXIUSEXJJUGT-DEOSSOPVSA-N

InChI

InChI=1S/C27H24N2O4/c1-29-15-17(18-8-6-7-13-25(18)29)14-24(26(30)31)28-27(32)33-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,15,23-24H,14,16H2,1H3,(H,28,32)(H,30,31)/t24-/m0/s1

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Work with (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-(1-methyl-1H-indol-3-yl)propanoic acid

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

1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan163619-04-371 % similar Fmoc-L-2-methylphe211637-75-166 % similar Fmoc-D-tryptophan86123-11-765 % similar Fmoc-L-2-chlorophe198560-41-764 % similar Fmoc-2-chloro-D-phenylalanine205526-22-364 % similar Fmoc-L-2-bromophenylalanine220497-47-264 % similar Fmoc-D-2-bromophenylalanine220497-79-064 % similar Fmoc-L-4-methylphe199006-54-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Fmoc-7-methyl-L-tryptophan1808268-53-2

Elsewhere

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