2-[1-[[3-(carboxymethylcarbamoyl)-4-oxidanyl-phenyl]methylamino]-1-oxidanylidene-propan-2-yl]-4-methyl-hexanoic acid

Systemtic Name: 2-[1-[[3-(carboxymethylcarbamoyl)-4-oxidanyl-phenyl]methylamino]-1-oxidanylidene-propan-2-yl]-4-methyl-hexanoic acid Openeye Name: 2-[2-[[3-(carboxymethylcarbamoyl)-4-hydroxy-phenyl]methylamino]-1-methyl-2-oxo-ethyl]-4-methyl-hexanoic acid CAS Name: 2-[1-[[3-[(carboxymethylamino)-oxomethyl]-4-hydroxyphenyl]methylamino]-1-oxopropan-2-yl]-4-methylhexanoic acid IUPAC Name: 2-[1-[[3-(carboxymethylcarbamoyl)-4-hydroxyphenyl]methylamino]-1-oxopropan-2-yl]-4-methylhexanoic acid Traditional Name: 2-[2-[[3-(carboxymethylcarbamoyl)-4-hydroxy-benzyl]amino]-2-keto-1-methyl-ethyl]-4-methyl-hexanoic acid Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C(C)C(=O)NCC1=CC(=C(C=C1)O)C(=O)NCC(=O)O)C(=O)O

Isomeric SMILES

CCC(C)CC(C(C)C(=O)NCC1=CC(=C(C=C1)O)C(=O)NCC(=O)O)C(=O)O

InChI

InChI=1S/C20H28N2O7/c1-4-11(2)7-14(20(28)29)12(3)18(26)21-9-13-5-6-16(23)15(8-13)19(27)22-10-17(24)25/h5-6,8,11-12,14,23H,4,7,9-10H2,1-3H3,(H,21,26)(H,22,27)(H,24,25)(H,28,29)