2-(2-adamantyloxycarbonylamino)-3-(4,5-dimethyl-1H-pyrrol-3-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-3-(4,5-dimethyl-1H-pyrrol-3-yl)-2-methyl-propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-3-(4,5-dimethyl-1H-pyrrol-3-yl)-2-methyl-propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-3-(4,5-dimethyl-1H-pyrrol-3-yl)-2-methylpropanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-3-(4,5-dimethyl-1H-pyrrol-3-yl)-2-methylpropanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-3-(4,5-dimethyl-1H-pyrrol-3-yl)-2-methyl-propionic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1CC(C)(C(=O)O)NC(=O)OC2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=C(NC=C1CC(C)(C(=O)O)NC(=O)OC2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C21H30N2O4/c1-11-12(2)22-10-17(11)9-21(3,19(24)25)23-20(26)27-18-15-5-13-4-14(7-15)8-16(18)6-13/h10,13-16,18,22H,4-9H2,1-3H3,(H,23,26)(H,24,25)