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

Systemtic Name: methyl 3-[[(2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O4/c1-14(2)21(22(28)26-20-10-19(23(29)31-4)6-5-15(20)3)27-24(30)25-11-16-7-17(12-25)9-18(8-16)13-25/h5-6,10,14,16-18,21H,7-9,11-13H2,1-4H3,(H,26,28)(H,27,30)/t16?,17?,18?,21-,25?/m0/s1