chempirical

(2S,3S)-Fmoc-abu(3-N3)-oh

C19H18N4O4CAS 131669-42-6366.38 g/mol

Open in Covalent MOL file
OOHNHOONN+N−
AzideCarbamateCarboxylic acid

Properties

Molecular formula
C19H18N4O4
Molar mass
366.38 g/mol
Exact mass
366.1328 Da
logP
3.68Crippen estimate
Polar surface area
124.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
131669-42-6
SMILES
C[C@@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)N=[N+]=[N-]
InChIKey
LLJMYBCJYQGZOS-GTNSWQLSSA-N
InChI
InChI=1S/C19H18N4O4/c1-11(22-23-20)17(18(24)25)21-19(26)27-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17H,10H2,1H3,(H,21,26)(H,24,25)/t11-,17-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (2S,3S)-Fmoc-abu(3-N3)-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-allo-ile-oh118904-37-364 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-260 % similar (2S,3R)-3-(Benzyloxy)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid117872-75-060 % similar Fmoc-O-trityl-L-threonine133180-01-559 % similar Fmoc-L-phenylglycine102410-65-156 % similar Fmoc-D-phg-oh111524-95-956 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-756 % similar Fmoc-D-ser-oh116861-26-855 % similar

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

Elsewhere

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