benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone
(4S)-5-[[(2S,3R)-1-[[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid
Also Known As: Z-IETD-fmk|zIETD-fmk|z-IETD.fmk|Fluoro(Z-Ile-Glu-Thr-Asp-)methane|Z-Ile-Glu-Thr-Asp-fluoromethylketone|Z-L-Ile-L-Glu-L-Thr-L-Asp-Fluoromethane|benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone|Fluoro(Cbz-L-Ile-L-Glu-L-Thr-L-Asp-)methane|Z-Ile-Glu(O-ME)-Thr-Asp(O-Me) fluoromethyl ketone|N-benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethylketone|(S)-3-[(Cbz-Ile-Glu-Thr-)Amino]-4-oxo-5-fluoropentanoic acid|Z-Ile-Glu(O-ME)-Thr-Asp(O-Me) fluoromethyl ketone, >=90% (TLC), powder|(3S)-3-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHYLPENTANAMIDO]-4-CARBOXYBUTANAMIDO]-3-HYDROXYBUTANAMIDO]-5-FLUORO-4-OXOPENTANOIC ACID|(4S)-5-[[(2S,3R)-1-[[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid
| Molecular Formula | C28H39FN4O11 |
|---|---|
| Molecular Weight | 626.25995 g/mol |
| LogP | 0.0408 |
| Topological Polar Surface Area | 237.53 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 626.25995 |
| Monoisotopic Mass | 626.25995 |
| Heavy Atoms | 44 |
| Complexity | 1165.5076 |
Chemical Identifiers
| CAS Number | 210344-98-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1 |
Product Overview
benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone (CAS 210344-98-2), with molecular formula C28H39FN4O11 and molecular weight 626.25995 g/mol. IUPAC: (4S)-5-[[(2S,3R)-1-[[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid.