(2S)-3-cyano-2-[[(2R,3R)-3-(4-fluoranyl-3-nitro-phenyl)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-cyano-2-[[(2R,3R)-3-(4-fluoranyl-3-nitro-phenyl)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2R,3R)-2-[[(2R)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoyl]amino]-3-(4-fluoro-3-nitro-phenyl)-3-hydroxy-propanoyl]amino]-3-cyano-propanoic acid CAS Name: (2S)-3-cyano-2-[[(2R,3R)-3-(4-fluoro-3-nitrophenyl)-3-hydroxy-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-3-cyano-2-[[(2R,3R)-3-(4-fluoro-3-nitrophenyl)-3-hydroxy-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2R,3R)-2-[[(2R)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoyl]amino]-3-(4-fluoro-3-nitro-phenyl)-3-hydroxy-propanoyl]amino]-3-cyano-propionic acid Formula: C25H34FN5O9 MolecularWeight: 567.563963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34FN5O9/c1-13(2)11-18(30(6)24(37)40-25(3,4)5)21(33)29-19(22(34)28-16(9-10-27)23(35)36)20(32)14-7-8-15(26)17(12-14)31(38)39/h7-8,12-13,16,18-20,32H,9,11H2,1-6H3,(H,28,34)(H,29,33)(H,35,36)/t16-,18+,19+,20+/m0/s1