methyl (2S)-2-[[3-(3,5-ditert-butyl-1-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)-2-formamido-propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[3-(3,5-ditert-butyl-1-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)-2-formamido-propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[3-(3,5-ditert-butyl-1-methoxy-4-oxo-cyclohexa-2,5-dien-1-yl)-2-formamido-propanoyl]amino]propanoate CAS Name: (2S)-2-[[3-(3,5-ditert-butyl-1-methoxy-4-oxo-1-cyclohexa-2,5-dienyl)-2-formamido-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(3,5-ditert-butyl-1-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-2-formamidopropanoyl]amino]propanoate Traditional Name: (2S)-2-[[3-(3,5-ditert-butyl-4-keto-1-methoxy-cyclohexa-2,5-dien-1-yl)-2-formamido-propanoyl]amino]propionic acid methyl ester Formula: C23H36N2O6 MolecularWeight: 436.54174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)OC)NC=O

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)C(CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)OC)NC=O

InChI

InChI=1S/C23H36N2O6/c1-14(20(29)30-8)25-19(28)17(24-13-26)12-23(31-9)10-15(21(2,3)4)18(27)16(11-23)22(5,6)7/h10-11,13-14,17H,12H2,1-9H3,(H,24,26)(H,25,28)/t14-,17?/m0/s1