tert-butyl N-[(2R)-3-(4-fluoranyl-3-nitro-phenyl)-1-[[(2S)-1-[[4-methoxy-3,5-bis(oxidanyl)phenyl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-3-(4-fluoranyl-3-nitro-phenyl)-1-[[(2S)-1-[[4-methoxy-3,5-bis(oxidanyl)phenyl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[[(1S)-1-benzyl-2-[(3,5-dihydroxy-4-methoxy-phenyl)methylamino]-2-oxo-ethyl]amino]-1-[(4-fluoro-3-nitro-phenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[[(2S)-1-[(3,5-dihydroxy-4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-fluoro-3-nitrophenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(2S)-1-[(3,5-dihydroxy-4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-fluoro-3-nitrophenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[[(1S)-1-benzyl-2-[(3,5-dihydroxy-4-methoxy-benzyl)amino]-2-keto-ethyl]amino]-1-(4-fluoro-3-nitro-benzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H35FN4O9 MolecularWeight: 626.629403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC(=C(C(=C3)O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC(=C(C(=C3)O)OC)O

InChI

InChI=1S/C31H35FN4O9/c1-31(2,3)45-30(41)35-23(13-19-10-11-21(32)24(14-19)36(42)43)29(40)34-22(12-18-8-6-5-7-9-18)28(39)33-17-20-15-25(37)27(44-4)26(38)16-20/h5-11,14-16,22-23,37-38H,12-13,17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t22-,23+/m0/s1