tert-butyl 6-azanyl-2-cyclohexyl-5,5-bis(fluoranyl)-4-oxidanyl-3-(phenylmethoxycarbonylamino)nonanoate

Systemtic Name: tert-butyl 6-azanyl-2-cyclohexyl-5,5-bis(fluoranyl)-4-oxidanyl-3-(phenylmethoxycarbonylamino)nonanoate Openeye Name: tert-butyl 6-amino-3-(benzyloxycarbonylamino)-2-cyclohexyl-5,5-difluoro-4-hydroxy-nonanoate CAS Name: 6-amino-2-cyclohexyl-5,5-difluoro-4-hydroxy-3-(phenylmethoxycarbonylamino)nonanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-2-cyclohexyl-5,5-difluoro-4-hydroxy-3-(phenylmethoxycarbonylamino)nonanoate Traditional Name: 6-amino-3-(benzyloxycarbonylamino)-2-cyclohexyl-5,5-difluoro-4-hydroxy-pelargonic acid tert-butyl ester Formula: C27H42F2N2O5 MolecularWeight: 512.629586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C(C(C1CCCCC1)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)O)(F)F)N

Isomeric SMILES

CCCC(C(C(C(C(C1CCCCC1)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)O)(F)F)N

InChI

InChI=1S/C27H42F2N2O5/c1-5-12-20(30)27(28,29)23(32)22(31-25(34)35-17-18-13-8-6-9-14-18)21(19-15-10-7-11-16-19)24(33)36-26(2,3)4/h6,8-9,13-14,19-23,32H,5,7,10-12,15-17,30H2,1-4H3,(H,31,34)