3-[2-[5-(4-methoxyphenyl)-3-oxidanylidene-2-propan-2-yl-1,4-thiazin-4-yl]ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid

Systemtic Name: 3-[2-[5-(4-methoxyphenyl)-3-oxidanylidene-2-propan-2-yl-1,4-thiazin-4-yl]ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid Openeye Name: 2-hydroxy-3-[[2-[2-isopropyl-5-(4-methoxyphenyl)-3-oxo-1,4-thiazin-4-yl]acetyl]amino]-4-phenyl-butanoic acid CAS Name: 2-hydroxy-3-[[2-[5-(4-methoxyphenyl)-3-oxo-2-propan-2-yl-1,4-thiazin-4-yl]-1-oxoethyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-hydroxy-3-[[2-[5-(4-methoxyphenyl)-3-oxo-2-propan-2-yl-1,4-thiazin-4-yl]acetyl]amino]-4-phenylbutanoic acid Traditional Name: 2-hydroxy-3-[[2-[2-isopropyl-3-keto-5-(4-methoxyphenyl)-1,4-thiazin-4-yl]acetyl]amino]-4-phenyl-butyric acid Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CS1)C2=CC=C(C=C2)OC)CC(=O)NC(CC3=CC=CC=C3)C(C(=O)O)O

Isomeric SMILES

CC(C)C1C(=O)N(C(=CS1)C2=CC=C(C=C2)OC)CC(=O)NC(CC3=CC=CC=C3)C(C(=O)O)O

InChI

InChI=1S/C26H30N2O6S/c1-16(2)24-25(31)28(21(15-35-24)18-9-11-19(34-3)12-10-18)14-22(29)27-20(23(30)26(32)33)13-17-7-5-4-6-8-17/h4-12,15-16,20,23-24,30H,13-14H2,1-3H3,(H,27,29)(H,32,33)