chempirical

(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
NOOHNHOO
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

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

Fmoc-D-tyr-oh112883-29-162 % similar (S)-N-Fmoc-2-thienylalanine130309-35-260 % similar Fmoc-2-nal-oh112883-43-959 % similar Fmoc-D-ser-oh116861-26-859 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-259 % similar Fmoc-bpa-oh117666-96-358 % similar Fmoc-D-4-carbamoylphe1217610-39-358 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-958 % similar

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

Elsewhere

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