(2S)-2-[[1-(3-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]carbamoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[1-(3-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]carbamoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-hydroxy-1-(3-hydroxyphenyl)-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[[2-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]amino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-hydroxy-1-(3-hydroxyphenyl)-2-keto-ethyl]carbamoylamino]-4-methyl-valeric acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6/c1-8(2)6-11(13(19)20)16-15(23)17-12(14(21)22)9-4-3-5-10(18)7-9/h3-5,7-8,11-12,18H,6H2,1-2H3,(H,19,20)(H,21,22)(H2,16,17,23)/t11-,12?/m0/s1