[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O4/c1-14(2)27-15(3)6-21(17(27)5)22(28)13-31-23(29)16(4)26-24(30)25-10-18-7-19(11-25)9-20(8-18)12-25/h6,14,16,18-20H,7-13H2,1-5H3,(H,26,30)/t16-,18?,19?,20?,25?/m0/s1