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

Systemtic Name: (2S)-2-[[1-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]carbamoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[[2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]amino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-2-keto-ethyl]carbamoylamino]-4-methyl-valeric acid Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7/c1-8(2)6-10(14(20)21)17-16(24)18-13(15(22)23)9-4-5-11(19)12(7-9)25-3/h4-5,7-8,10,13,19H,6H2,1-3H3,(H,20,21)(H,22,23)(H2,17,18,24)/t10-,13?/m0/s1