5-azanyl-2-[dimethylcarbamoyl-[(3-methoxycarbonyl-1-adamantyl)carbonyl]amino]pentanoic acid

Systemtic Name: 5-azanyl-2-[dimethylcarbamoyl-[(3-methoxycarbonyl-1-adamantyl)carbonyl]amino]pentanoic acid Openeye Name: 5-amino-2-[dimethylcarbamoyl-(3-methoxycarbonyladamantane-1-carbonyl)amino]pentanoic acid CAS Name: 5-amino-2-[[dimethylamino(oxo)methyl]-[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[dimethylcarbamoyl-(3-methoxycarbonyladamantane-1-carbonyl)amino]pentanoic acid Traditional Name: 5-amino-2-[(3-carbomethoxyadamantane-1-carbonyl)-(dimethylcarbamoyl)amino]valeric acid Formula: C21H33N3O6 MolecularWeight: 423.50322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N(C(CCCN)C(=O)O)C(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)N(C(CCCN)C(=O)O)C(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

InChI

InChI=1S/C21H33N3O6/c1-23(2)19(29)24(15(16(25)26)5-4-6-22)17(27)20-8-13-7-14(9-20)11-21(10-13,12-20)18(28)30-3/h13-15H,4-12,22H2,1-3H3,(H,25,26)