(2S,3R)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3R)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3R)-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]-3-methyl-pentanoic acid CAS Name: (2S,3R)-2-[[2-(3,5-dimethoxyphenyl)propan-2-yloxy-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3R)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-3-methylpentanoic acid Traditional Name: (2S,3R)-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]-3-methyl-valeric acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO6/c1-7-11(2)15(16(20)21)19-17(22)25-18(3,4)12-8-13(23-5)10-14(9-12)24-6/h8-11,15H,7H2,1-6H3,(H,19,22)(H,20,21)/t11-,15+/m1/s1