methyl 2-[[2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-[[4-(1-adamantyl)benzoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[[[4-(1-adamantyl)phenyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-(1-adamantyl)benzoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[[4-(1-adamantyl)benzoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O4/c1-16(2)23(26(32)30-24(17(3)4)27(33)34-5)29-25(31)21-6-8-22(9-7-21)28-13-18-10-19(14-28)12-20(11-18)15-28/h6-9,16-20,23-24H,10-15H2,1-5H3,(H,29,31)(H,30,32)