(2S)-6-azanyl-2-[dimethylcarbamoyl-[(3-methoxycarbonyl-1-adamantyl)carbonyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[dimethylcarbamoyl-[(3-methoxycarbonyl-1-adamantyl)carbonyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[dimethylcarbamoyl-(3-methoxycarbonyladamantane-1-carbonyl)amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[dimethylamino(oxo)methyl]-[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[dimethylcarbamoyl-(3-methoxycarbonyladamantane-1-carbonyl)amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[(3-carbomethoxyadamantane-1-carbonyl)-(dimethylcarbamoyl)amino]hexanoic acid Formula: C22H35N3O6 MolecularWeight: 437.5298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C(=O)N([C@@H](CCCCN)C(=O)O)C(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

InChI

InChI=1S/C22H35N3O6/c1-24(2)20(30)25(16(17(26)27)6-4-5-7-23)18(28)21-9-14-8-15(10-21)12-22(11-14,13-21)19(29)31-3/h14-16H,4-13,23H2,1-3H3,(H,26,27)/t14?,15?,16-,21?,22?/m0/s1