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

Systemtic Name: tert-butyl 5-fluoranyl-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxidanyl-pentanoate Openeye Name: tert-butyl 3-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoyl]amino]-5-fluoro-4-hydroxy-pentanoate CAS Name: 5-fluoro-4-hydroxy-3-[[(2S)-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopropyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-fluoro-4-hydroxy-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]pentanoate Traditional Name: 3-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoyl]amino]-5-fluoro-4-hydroxy-valeric acid tert-butyl ester Formula: C25H38FN3O7 MolecularWeight: 511.583523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38FN3O7/c1-15(2)21(29-24(34)35-14-17-10-8-7-9-11-17)23(33)27-16(3)22(32)28-18(19(30)13-26)12-20(31)36-25(4,5)6/h7-11,15-16,18-19,21,30H,12-14H2,1-6H3,(H,27,33)(H,28,32)(H,29,34)/t16-,18?,19?,21-/m0/s1