4-[[3-(carboxymethylcarbamoyl)-4-oxidanyl-phenyl]methylcarbamoyl]-2-methyl-hexanoic acid

Systemtic Name: 4-[[3-(carboxymethylcarbamoyl)-4-oxidanyl-phenyl]methylcarbamoyl]-2-methyl-hexanoic acid Openeye Name: 4-[[3-(carboxymethylcarbamoyl)-4-hydroxy-phenyl]methylcarbamoyl]-2-methyl-hexanoic acid CAS Name: 4-[[[3-[(carboxymethylamino)-oxomethyl]-4-hydroxyphenyl]methylamino]-oxomethyl]-2-methylhexanoic acid IUPAC Name: 4-[[3-(carboxymethylcarbamoyl)-4-hydroxyphenyl]methylcarbamoyl]-2-methylhexanoic acid Traditional Name: 4-[[3-(carboxymethylcarbamoyl)-4-hydroxy-benzyl]carbamoyl]-2-methyl-hexanoic acid Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7/c1-3-12(6-10(2)18(26)27)16(24)19-8-11-4-5-14(21)13(7-11)17(25)20-9-15(22)23/h4-5,7,10,12,21H,3,6,8-9H2,1-2H3,(H,19,24)(H,20,25)(H,22,23)(H,26,27)