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C15H29N3O5CAS 154039-60-8331.41 g/mol

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HNONHOOHONHOH
AlcoholOxime

Properties

Molecular formula
C15H29N3O5
Molar mass
331.41 g/mol
Exact mass
331.2107 Da
logP
2.31Crippen estimate
Polar surface area
138.2 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
7
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. Search the SDS library

Identifiers

CAS number
154039-60-8
SMILES
CN=C(O)[C@@H](N=C(O)[C@H](CC(C)C)[C@H](O)C(O)=NO)C(C)(C)C
InChIKey
OCSMOTCMPXTDND-OUAUKWLOSA-N
InChI
InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1

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Names and synonyms

7 names
  • Butanediamide, N4-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-N1,2-dihydroxy-3-(2-methylpropyl)-, (2S,3R)-
  • Butanediamide, N4-[2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-N1,2-dihydroxy-3-(2-methylpropyl)-, [2S-[N4(R*),2R*,3S*]]-
  • (2S,3R)-N4-[(1S)-2,2-Dimethyl-1-[(methylamino)carbonyl]propyl]-N1,2-dihydroxy-3-(2-methylpropyl)butanediamide
  • BB 2516
  • GI 5712
  • TA 2516
  • KB-R 8898

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Similar compounds

Batimastat130370-60-436 % similar (2S)-2-Amino-N,3,3-trimethylbutanamide89226-12-033 % similar Ilomastat142880-36-231 % similar

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

Elsewhere

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