Boc-D-N-me-phe DCHA

C₂₇H₄₄N₂O₄CAS 102185-45-5460.66 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Secondary amine

Properties

Molecular formula: C₂₇H₄₄N₂O₄
Molar mass: 460.66 g/mol
Exact mass: 460.3301 Da
logP: 5.79Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

102185-45-5

SMILES

CC(C)(C)OC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChIKey

MFORGORUOHHLHW-UTONKHPSSA-N

InChI

InChI=1S/C15H21NO4.C12H23N/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,12H,10H2,1-4H3,(H,17,18);11-13H,1-10H2/t12-;/m1./s1

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Names and synonyms

1 names

Boc-D-mephe-oh dcha

Work with Boc-D-N-me-phe DCHA

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

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

Elsewhere

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