L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)

C₂₃H₃₇N₃O₅CAS 219921-94-5435.57 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Tertiary amine

Properties

Molecular formula: C₂₃H₃₇N₃O₅
Molar mass: 435.57 g/mol
Exact mass: 435.2733 Da
Melting point: 169–171 °C
logP: 4.00Crippen estimate
Polar surface area: 136.4 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 9
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

219921-94-5

SMILES

CC(C)C[C@H](N)c1ccccc1N1CCCCC1.CC(O)=N[C@@H](CCC(=O)O)C(=O)O

InChIKey

YPDMBMNFFPWTOV-NXMISADUSA-N

InChI

InChI=1S/C16H26N2.C7H11NO5/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18;1-4(9)8-5(7(12)13)2-3-6(10)11/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t15-;5-/m00/s1

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

Names and synonyms

1 names

Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (αS)-, N-acetyl-L-glutamate (1:1)

Work with L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)

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

(αS)-α-(2-Methylpropyl)-2-(1-piperidinyl)benzenemethanamine147769-93-556 % similar N-Acetyl-L-glutamic acid1188-37-051 % similar N-Acetylglutamic acid5817-08-351 % similar N-Acetyl-L-leucine1188-21-243 % similar Acetylleucine99-15-043 % similar (-)-N-Acetylphenylalanine10172-89-139 % similar N-Acetyl-L-phenylalanine2018-61-339 % similar N-Acetyl-dl-phenylalanine2901-75-939 % similar

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

Elsewhere

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