(2S)-2-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyridine-2-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridine-2-carbonyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]picolinoyl]amino]-3-hydroxy-propionic acid Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C20H22N2O7/c1-3-12-7-14(11(2)24)17(25)8-18(12)29-10-13-5-4-6-15(21-13)19(26)22-16(9-23)20(27)28/h4-8,16,23,25H,3,9-10H2,1-2H3,(H,22,26)(H,27,28)/t16-/m0/s1