2-[carboxy-[2-[2-(3-nitrophenyl)isoindol-1-yl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[2-(3-nitrophenyl)isoindol-1-yl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[2-(3-nitrophenyl)isoindol-1-yl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[2-(3-nitrophenyl)-1-isoindolyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[2-(3-nitrophenyl)isoindol-1-yl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[2-(3-nitrophenyl)isoindol-1-yl]ethyl]amino]-4-methyl-valeric acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=C2C=CC=CC2=CN1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=C2C=CC=CC2=CN1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H25N3O6/c1-15(2)12-21(22(27)28)24(23(29)30)11-10-20-19-9-4-3-6-16(19)14-25(20)17-7-5-8-18(13-17)26(31)32/h3-9,13-15,21H,10-12H2,1-2H3,(H,27,28)(H,29,30)