Batimastat

CAS Registry Number®

130370-60-4
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CAS Name

Batimastat

Molecular Formula

C23H31N3O4S2

Molecular Mass

477.64

Cite this Page

Batimastat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130370-60-4 (retrieved 2024-04-23) (CAS RN: 130370-60-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    236-238 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1

InChIKey

InChIKey=XFILPEOLDIKJHX-QYZOEREBSA-N

SMILES

[C@@H]([C@H](CSC1=CC=CS1)C(NO)=O)(C(N[C@@H](CC2=CC=CC=C2)C(NC)=O)=O)CC(C)C

Canonical SMILES

O=C(NC)C(NC(=O)C(CC(C)C)C(C(=O)NO)CSC=1SC=CC1)CC=2C=CC=CC2

Other Names for this Substance

  • Butanediamide, N4-hydroxy-N1-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]-, (2R,3S)-
  • Butanediamide, N4-hydroxy-N1-[2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]-, [2R-[1(S*),2R*,3S*]]-
  • (2R,3S)-N4-Hydroxy-N1-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butanediamide
  • BB 94
  • Batimastat

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