(2S)-2-[[(2S)-3-(3-methyl-4-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-3-(3-methyl-4-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[[(1S)-2-hydroxy-1-[(4-hydroxy-3-methyl-phenyl)methyl]-2-oxo-ethyl]carbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[[(2S)-1-hydroxy-3-(4-hydroxy-3-methylphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-1-hydroxy-3-(4-hydroxy-3-methylphenyl)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[[(1S)-2-hydroxy-1-(4-hydroxy-3-methyl-benzyl)-2-keto-ethyl]carbamoylamino]glutaric acid Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C16H20N2O8/c1-8-6-9(2-4-12(8)19)7-11(15(24)25)18-16(26)17-10(14(22)23)3-5-13(20)21/h2,4,6,10-11,19H,3,5,7H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,26)/t10-,11-/m0/s1