(Alphas)-alpha-[(4-morpholinylacetyl)amino]benzenebutanoyl-L-leucyl-L-phenylalanine

C₃₁H₄₂N₄O₆CAS 868540-16-3566.70 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₃₁H₄₂N₄O₆
Molar mass: 566.70 g/mol
Exact mass: 566.3104 Da
logP: 1.78Crippen estimate
Polar surface area: 137.1 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 15
Stereocentres: S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

868540-16-3

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)CN3CCOCC3

InChIKey

MIVQDKORYUSPTQ-QKDODKLFSA-N

InChI

InChI=1S/C31H42N4O6/c1-22(2)19-26(30(38)34-27(31(39)40)20-24-11-7-4-8-12-24)33-29(37)25(14-13-23-9-5-3-6-10-23)32-28(36)21-35-15-17-41-18-16-35/h3-12,22,25-27H,13-21H2,1-2H3,(H,32,36)(H,33,37)(H,34,38)(H,39,40)/t25-,26-,27-/m0/s1

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Names and synonyms

1 names

L-Phenylalanine, (alphaS)-alpha-((2-(4-morpholinyl)acetyl)amino)benzenebutanoyl-L-leucyl-

Work with (Alphas)-alpha-[(4-morpholinylacetyl)amino]benzenebutanoyl-L-leucyl-L-phenylalanine

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

Carfilzomib868540-17-471 % similar Leucylphenylalanine56217-82-453 % similar [Leu5]-enkephalin58822-25-649 % similar Pentapeptide-1864963-01-548 % similar Boc-hph-leu-phe-ome868539-96-247 % similar Benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate868540-15-247 % similar N-Cbz-D-leucine28862-79-543 % similar N-Carbobenzoxy-dl-leucine3588-60-143 % similar

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

Elsewhere

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