N-Acetyl-L-leucyl-N-[(1S)-1-formyl-3-(methylthio)propyl]-L-leucinamide

C19H35N3O4SCAS 110115-07-6401.57 g/mol

Open in Covalent MOL file
SONHONHONHO
AldehydeSulfide

Properties

Molecular formula
C19H35N3O4S
Molar mass
401.57 g/mol
Exact mass
401.2348 Da
logP
4.03Crippen estimate
Polar surface area
114.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
13
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.

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Identifiers

CAS number
110115-07-6
SMILES
CSCC[C@@H](C=O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(C)O
InChIKey
RJWLAIMXRBDUMH-ULQDDVLXSA-N
InChI
InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1

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Names and synonyms

8 names
  • L-Leucinamide, N-acetyl-L-leucyl-N-[(1S)-1-formyl-3-(methylthio)propyl]-
  • L-Leucinamide, N-acetyl-L-leucyl-N-[1-formyl-3-(methylthio)propyl]-, (S)-
  • SUAM 312
  • Calpain inhibitor II
  • CI 2
  • Calp II
  • ALLM
  • N-Acetylleucyl-leucyl-methioninal

Work with N-Acetyl-L-leucyl-N-[(1S)-1-formyl-3-(methylthio)propyl]-L-leucinamide

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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