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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FN3O7/c1-13(2)18(26-22(31)33-12-15-8-6-5-7-9-15)20(29)24-14(3)19(28)25-17(21(30)32-4)10-16(27)11-23/h5-9,13-14,17-18H,10-12H2,1-4H3,(H,24,29)(H,25,28)(H,26,31)/t14-,17-,18-/m0/s1