chempirical

Mg132

C26H41N3O5CAS 133407-82-6475.63 g/mol

Open in Covalent MOL file
ONHONHONHOO
Aldehyde

Properties

Molecular formula
C26H41N3O5
Molar mass
475.63 g/mol
Exact mass
475.3046 Da
Melting point
80–84 °C (decomposes)
logP
5.47Crippen estimate
Polar surface area
124.1 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
14
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
133407-82-6
SMILES
CC(C)C[C@@H](C=O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)OCc1ccccc1
InChIKey
TZYWCYJVHRLUCT-VABKMULXSA-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

Weigh it out

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

Names and synonyms

5 names
  • L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-
  • L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-(1-formyl-3-methylbutyl)-, (S)-
  • N-[(Phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-L-leucinamide
  • MG 132
  • Calpain inhibitor IV-2

Work with Mg132

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

Same formula

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]carbamate1211877-36-9

Elsewhere

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