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marimastat

marimastat

CAS: 154039-60-8

Formula: C15H29N3O5

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C

IUPAC: (2S,3R)-N'-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N,2-dihydroxy-3-(2-methylpropyl)butanediamide

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

Composition: C (54.36%), H (8.82%), N (12.68%), O (24.14%)

Molar Mass: 331.413

Atom Count: 52

Heavy Atom Count: 23

Properties
Properties
Common Names marimastat; ?????
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 331.210721046
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 5
InChIKey OCSMOTCMPXTDND-OUAUKWLOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.2
Topological Polar Surface Area 127.76
Polarizability 33.33
Ring Count 0
Rotatable Bond Count 8

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