2-azanyl-5-[[(2S)-1-methoxy-3-(2-methyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[(2S)-1-methoxy-3-(2-methyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[(1S)-1-[(4-hydroxy-2-methyl-phenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[(2S)-3-(4-hydroxy-2-methylphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[(2S)-3-(4-hydroxy-2-methylphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[(1S)-1-(4-hydroxy-2-methyl-benzyl)-2-keto-2-methoxy-ethyl]amino]-5-keto-valeric acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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