Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate

C₂₂H₂₆N₂O₄CAS 88191-84-8382.46 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₂₂H₂₆N₂O₄
Molar mass: 382.46 g/mol
Exact mass: 382.1893 Da
logP: 3.91Crippen estimate
Polar surface area: 91.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 9
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

88191-84-8

SMILES

CC(C)[C@H](N=C(O)OCc1ccccc1)C(O)=NC(C=O)Cc1ccccc1

InChIKey

NGBKFLTYGSREKK-ANYOKISRSA-N

InChI

InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1

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Names and synonyms

5 names

Carbamic acid, N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester
Carbamic acid, [(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester
MDL 28170
Calpain inhibitor III
Calp III

Work with Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate

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

Mg132133407-82-661 % similar Benzyloxycarbonyl-L-valine1149-26-460 % similar N-(Benzyloxycarbonyl)-dl-valine3588-63-460 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-558 % similar Calpeptin117591-20-555 % similar Z-Vad(ome)-fmk187389-52-251 % similar N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester16597-50-550 % similar Z-Thr-oh19728-63-350 % similar

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

Same formula

Tofisopam22345-47-7 Isocorynoxeine51014-29-0 Corynoxeine630-94-4

Elsewhere

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