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C20H28N4O4CAS 142880-36-2388.47 g/mol

Open in Covalent MOL file
NHONHNHOONHOH
Oxime

Properties

Molecular formula
C20H28N4O4
Molar mass
388.47 g/mol
Exact mass
388.2111 Da
logP
4.02Crippen estimate
Polar surface area
133.8 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
9
Stereocentres
S, Rin 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
142880-36-2
SMILES
CN=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H](CC(O)=NO)CC(C)C
InChIKey
NITYDPDXAAFEIT-DYVFJYSZSA-N
InChI
InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1

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Names and synonyms

7 names
  • Butanediamide, N4-hydroxy-N1-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)-, (2R)-
  • Butanediamide, N4-hydroxy-N1-[1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)-, [S-(R*,S*)]-
  • (2R)-N4-Hydroxy-N1-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide
  • GM 6001
  • Galardin
  • CS 610
  • (R)-N1-((S)-3-(1H-Indol-3yl)-1-(methylamino)-1-oxopropan-2-yl)-N4-hydroxy-2-isobutylsuccinamide

Work with Ilomastat

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

Ala-trp16305-75-247 % similar Glycyl-L-tryptophan2390-74-145 % similar N-(2-Chloroacetyl)-L-tryptophan64709-57-543 % similar Acetyl-L-tryptophan1218-34-442 % similar N-Acetyl-D-tryptophan2280-01-542 % similar N-Acetyl-L-tryptophanamide2382-79-842 % similar N-Acetyl-DL-tryptophan87-32-142 % similar Thymogen38101-59-640 % similar

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

Elsewhere

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