[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H36N2O4/c1-14(2)22(23(29)31-13-21(28)20-6-15(3)27(5)16(20)4)26-24(30)25-10-17-7-18(11-25)9-19(8-17)12-25/h6,14,17-19,22H,7-13H2,1-5H3,(H,26,30)/t17?,18?,19?,22-,25?/m0/s1