[3-[2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [3-[2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: [3-(2,4-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-3-methyl-butyl] (2R)-3-benzylsulfanyl-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid [3-(2,4-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methylbutyl] ester IUPAC Name: [3-(2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methylbutyl] (2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-(tert-butoxycarbonylamino)propionic acid [3-(3,6-diketo-2,4-dimethyl-cyclohexa-1,4-dien-1-yl)-3-methyl-butyl] ester Formula: C28H37NO6S MolecularWeight: 515.66148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=O)C)C(C)(C)CCOC(=O)C(CSCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=O)C(=C(C1=O)C)C(C)(C)CCOC(=O)[C@H](CSCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H37NO6S/c1-18-15-22(30)23(19(2)24(18)31)28(6,7)13-14-34-25(32)21(29-26(33)35-27(3,4)5)17-36-16-20-11-9-8-10-12-20/h8-12,15,21H,13-14,16-17H2,1-7H3,(H,29,33)/t21-/m0/s1