methyl 4-[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]benzoate Traditional Name: 4-[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]benzoic acid methyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c1-14(2)20(21(27)25-19-6-4-18(5-7-19)22(28)30-3)26-23(29)24-11-15-8-16(12-24)10-17(9-15)13-24/h4-7,14-17,20H,8-13H2,1-3H3,(H,25,27)(H,26,29)/t15?,16?,17?,20-,24?/m1/s1