methyl (2S,3R)-2-[[(2R)-2-(3-bromanyl-4-methoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-3-(4-fluoranyl-3-nitro-phenyl)-3-oxidanyl-propanoate

Systemtic Name: methyl (2S,3R)-2-[[(2R)-2-(3-bromanyl-4-methoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-3-(4-fluoranyl-3-nitro-phenyl)-3-oxidanyl-propanoate Openeye Name: methyl (2S,3R)-2-[[(2R)-2-(3-bromo-4-methoxy-phenyl)-2-(tert-butoxycarbonylamino)acetyl]amino]-3-(4-fluoro-3-nitro-phenyl)-3-hydroxy-propanoate CAS Name: (2S,3R)-2-[[(2R)-2-(3-bromo-4-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3-(4-fluoro-3-nitrophenyl)-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[[(2R)-2-(3-bromo-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-(4-fluoro-3-nitrophenyl)-3-hydroxypropanoate Traditional Name: (2S,3R)-2-[[(2R)-2-(3-bromo-4-methoxy-phenyl)-2-(tert-butoxycarbonylamino)acetyl]amino]-3-(4-fluoro-3-nitro-phenyl)-3-hydroxy-propionic acid methyl ester Formula: C24H27BrFN3O9 MolecularWeight: 600.388283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC(=C(C=C1)OC)Br)C(=O)NC(C(C2=CC(=C(C=C2)F)[N+](=O)[O-])O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C1=CC(=C(C=C1)OC)Br)C(=O)N[C@@H]([C@@H](C2=CC(=C(C=C2)F)[N+](=O)[O-])O)C(=O)OC

InChI

InChI=1S/C24H27BrFN3O9/c1-24(2,3)38-23(33)28-18(12-7-9-17(36-4)14(25)10-12)21(31)27-19(22(32)37-5)20(30)13-6-8-15(26)16(11-13)29(34)35/h6-11,18-20,30H,1-5H3,(H,27,31)(H,28,33)/t18-,19+,20-/m1/s1