(2S)-2-[[4-(carboxymethylcarbamoyl)-2-oxidanyl-phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[4-(carboxymethylcarbamoyl)-2-oxidanyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[4-(carboxymethylcarbamoyl)-2-hydroxy-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[4-[(carboxymethylamino)-oxomethyl]-2-hydroxyphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[4-(carboxymethylcarbamoyl)-2-hydroxybenzoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[4-(carboxymethylcarbamoyl)-2-hydroxy-benzoyl]amino]-4-methyl-valeric acid Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NCC(=O)O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NCC(=O)O)O

InChI

InChI=1S/C16H20N2O7/c1-8(2)5-11(16(24)25)18-15(23)10-4-3-9(6-12(10)19)14(22)17-7-13(20)21/h3-4,6,8,11,19H,5,7H2,1-2H3,(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t11-/m0/s1