N-Fmoc-7-methyl-L-tryptophan

C₂₇H₂₄N₂O₄CAS 1808268-53-2440.50 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: 5.01Crippen estimate
Polar surface area: 91.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1808268-53-2

SMILES

CC1=C2C(=CC=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChIKey

LIHWPPTURGLCAT-DEOSSOPVSA-N

InChI

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

Weigh it out

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Work with N-Fmoc-7-methyl-L-tryptophan

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-L-2-methylphe211637-75-173 % similar Fmoc-L-2-chlorophe198560-41-763 % similar Fmoc-2-chloro-D-phenylalanine205526-22-363 % similar Fmoc-L-4-methylphe199006-54-763 % similar Fmoc-D-4-methylphe204260-38-863 % similar Fmoc-L-2-bromophenylalanine220497-47-261 % similar Fmoc-D-2-bromophenylalanine220497-79-061 % similar Fmoc-D-4-chlorophe142994-19-260 % similar

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

Same formula

(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-(1-methyl-1H-indol-3-yl)propanoic acid1334509-86-2

Elsewhere

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