methyl 5-fluoranyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-fluoranyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxidanylidene-pentanoate Openeye Name: methyl 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-5-fluoro-4-oxo-pentanoate CAS Name: 5-fluoro-3-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-fluoro-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxopentanoate Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-5-fluoro-4-keto-valeric acid methyl ester Formula: C20H27FN2O6 MolecularWeight: 410.436583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H27FN2O6/c1-4-13(2)18(23-20(27)29-12-14-8-6-5-7-9-14)19(26)22-15(16(24)11-21)10-17(25)28-3/h5-9,13,15,18H,4,10-12H2,1-3H3,(H,22,26)(H,23,27)/t13?,15?,18-/m0/s1