dimethyl 5-[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H34N2O6/c1-14(2)21(28-25(32)26-11-15-5-16(12-26)7-17(6-15)13-26)22(29)27-20-9-18(23(30)33-3)8-19(10-20)24(31)34-4/h8-10,14-17,21H,5-7,11-13H2,1-4H3,(H,27,29)(H,28,32)/t15?,16?,17?,21-,26?/m1/s1