[3-[2,4-dimethyl-3,6-bis(oxidanyl)phenyl]-3-methyl-butyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: [3-[2,4-dimethyl-3,6-bis(oxidanyl)phenyl]-3-methyl-butyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: [3-(3,6-dihydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] (2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid [3-(3,6-dihydroxy-2,4-dimethylphenyl)-3-methylbutyl] ester IUPAC Name: [3-(3,6-dihydroxy-2,4-dimethylphenyl)-3-methylbutyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoic acid [3-(3,6-dihydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] ester Formula: C32H46N2O8 MolecularWeight: 586.71624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)C)C(C)(C)CCOC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1O)C)C(C)(C)CCOC(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C32H46N2O8/c1-21-19-25(35)26(22(2)27(21)36)32(6,7)16-18-40-28(37)24(34-30(39)42-31(3,4)5)15-11-12-17-33-29(38)41-20-23-13-9-8-10-14-23/h8-10,13-14,19,24,35-36H,11-12,15-18,20H2,1-7H3,(H,33,38)(H,34,39)/t24-/m0/s1