5-(dimethylcarbamoylamino)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]pentanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NCCCC(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)NCCCC(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

InChI

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