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Marimastat 1mg

CAT: 0628-A12826-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A12826-1Size:1 mg
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CAS Number
154039-60-8

Chemical Information

Marimastat

Marimastat is a secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide. It has a role as an antineoplastic agent and a matrix metalloproteinase inhibitor. It is a secondary carboxamide and a hydroxamic acid.

CAS Number154039-60-8
PubChem CID119031
IUPAC Name(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
Molecular FormulaC15H29N3O5
Molecular Weight331.41
XLogP0.5
Topological Polar Surface Area128
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity431
SMILES
CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C
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
InChIKey
OCSMOTCMPXTDND-OUAUKWLOSA-N
Chemical Structure
2D Structure
2D structure of Marimastat
CAS: 154039-60-8
CID: 119031
Formula: C15H29N3O5
MW: 331.41
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight331.41
XLogP30.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass331.21072103
Monoisotopic Mass331.21072103
Topological Polar Surface Area128 Ų
Heavy Atom Count23
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes