2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(2S)-3-(3-dibenzofuranyl)-1-oxo-2-(phosphonomethylamino)propyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoyl]amino]-4-methyl-valeric acid Formula: C22H27N2O7P MolecularWeight: 462.432741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC2=C(C=C1)C3=CC=CC=C3O2)NCP(=O)(O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)[C@H](CC1=CC2=C(C=C1)C3=CC=CC=C3O2)NCP(=O)(O)O

InChI

InChI=1S/C22H27N2O7P/c1-13(2)9-18(22(26)27)24-21(25)17(23-12-32(28,29)30)10-14-7-8-16-15-5-3-4-6-19(15)31-20(16)11-14/h3-8,11,13,17-18,23H,9-10,12H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t17-,18?/m0/s1