Benzyl n-[(2s)-4-methyl-1-[[(2r)-4-methyl-1-[[(2s)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

C26H41N3O5CAS 1211877-36-9475.63 g/mol

Open in Covalent MOL file
ONHONHONHOO
AldehydeAmideCarbamate

Properties

Molecular formula
C26H41N3O5
Molar mass
475.63 g/mol
Exact mass
475.3046 Da
logP
3.59Crippen estimate
Polar surface area
113.6 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
14
Stereocentres
S, R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
1211877-36-9
SMILES
CC(C)C[C@@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChIKey
TZYWCYJVHRLUCT-ZRBLBEILSA-N
InChI
InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22+,23-/m0/s1

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Names and synonyms

1 names
  • (R)-Mg132

Work with Benzyl n-[(2s)-4-methyl-1-[[(2r)-4-methyl-1-[[(2s)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Mg132133407-82-6Diastereomer

Similar compounds

N-Cbz-D-leucine28862-79-561 % similar N-Carbobenzoxy-dl-leucine3588-60-161 % similar Z-D-Leu-OH.DCHA7662-58-054 % similar Benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate868540-15-253 % similar Gc3761416992-39-649 % similar (S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-448 % similar N-Cbz-L-homoserine lactone35677-89-546 % similar N-Benzyloxycarbonyl-D-alaninol61425-27-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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