5-fluoranyl-2-methyl-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-2-methyl-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-5-fluoro-2-methyl-4-oxo-pentanoic acid CAS Name: 5-fluoro-2-methyl-3-[[2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopropyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-2-methyl-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxopentanoic acid Traditional Name: 3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-5-fluoro-4-keto-2-methyl-valeric acid Formula: C22H30FN3O7 MolecularWeight: 467.487903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(C(C)C(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(C(C)C(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H30FN3O7/c1-12(2)17(26-22(32)33-11-15-8-6-5-7-9-15)20(29)24-14(4)19(28)25-18(16(27)10-23)13(3)21(30)31/h5-9,12-14,17-18H,10-11H2,1-4H3,(H,24,29)(H,25,28)(H,26,32)(H,30,31)