Dansyl-dl-aspartic acid di(cyclohexylamm

C₂₈H₄₄N₄O₆SCAS 102783-64-2564.74 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfonamide Tertiary amine

Properties

Molecular formula: C₂₈H₄₄N₄O₆S
Molar mass: 564.74 g/mol
Exact mass: 564.2982 Da
logP: 3.67Crippen estimate
Polar surface area: 176.1 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 7

Identifiers

CAS number

102783-64-2

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC(=O)O)C(=O)O.C1CCC(CC1)N.C1CCC(CC1)N

InChIKey

LANKQSXUDGQIRJ-UHFFFAOYSA-N

InChI

InChI=1S/C16H18N2O6S.2C6H13N/c1-18(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)17-12(16(21)22)9-15(19)20;2*7-6-4-2-1-3-5-6/h3-8,12,17H,9H2,1-2H3,(H,19,20)(H,21,22);2*6H,1-5,7H2

Weigh it out

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

Work with Dansyl-dl-aspartic acid di(cyclohexylamm

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

L-Alanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-, compd. with cyclohexanamine (1:1)53332-27-775 % similar Dansyl-L-phenylalanine1104-36-562 % similar Fmoc-lys(dansyl)-OH118584-90-049 % similar Dansylhydrazine33008-06-947 % similar Dansyl acid4272-77-938 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-238 % similar 5-(Dimethylamino)-1-naphthalenesulfonyl fluoride34523-28-935 % similar Dansyl chloride605-65-235 % similar

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

Elsewhere

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