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

Systemtic Name: (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoylamino]-4-methyl-valeric acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-9(2)7-12(14(20)21)17-16(24)18-13(15(22)23)8-10-3-5-11(19)6-4-10/h3-6,9,12-13,19H,7-8H2,1-2H3,(H,20,21)(H,22,23)(H2,17,18,24)/t12-,13-/m0/s1