[3-(2,4-dimethyl-6-oxidanyl-3-phenylmethoxy-phenyl)-3-methyl-butyl] (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: [3-(2,4-dimethyl-6-oxidanyl-3-phenylmethoxy-phenyl)-3-methyl-butyl] (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [3-(3-benzyloxy-6-hydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] (2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [3-(6-hydroxy-2,4-dimethyl-3-phenylmethoxyphenyl)-3-methylbutyl] ester IUPAC Name: [3-(6-hydroxy-2,4-dimethyl-3-phenylmethoxyphenyl)-3-methylbutyl] (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-methyl-valeric acid [3-(3-benzoxy-6-hydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] ester Formula: C31H45NO6 MolecularWeight: 527.6921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OCC2=CC=CC=C2)C)C(C)(C)CCOC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1OCC2=CC=CC=C2)C)C(C)(C)CCOC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C31H45NO6/c1-20(2)17-24(32-29(35)38-30(5,6)7)28(34)36-16-15-31(8,9)26-22(4)27(21(3)18-25(26)33)37-19-23-13-11-10-12-14-23/h10-14,18,20,24,33H,15-17,19H2,1-9H3,(H,32,35)/t24-/m0/s1