3-[2-(dimethylcarbamoylamino)-1,3-thiazol-4-yl]-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]propanoic acid

Systemtic Name: 3-[2-(dimethylcarbamoylamino)-1,3-thiazol-4-yl]-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]propanoic acid Openeye Name: 3-[2-(dimethylcarbamoylamino)thiazol-4-yl]-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]propanoic acid CAS Name: 3-[2-[[dimethylamino(oxo)methyl]amino]-4-thiazolyl]-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[2-(dimethylcarbamoylamino)-1,3-thiazol-4-yl]-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]propanoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-[2-(dimethylcarbamoylamino)thiazol-4-yl]propionic acid Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=NC(=CS1)CC(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

CN(C)C(=O)NC1=NC(=CS1)CC(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C22H30N4O6S/c1-26(2)20(31)25-19-23-14(10-33-19)5-15(16(27)28)24-17(29)21-6-12-4-13(7-21)9-22(8-12,11-21)18(30)32-3/h10,12-13,15H,4-9,11H2,1-3H3,(H,24,29)(H,27,28)(H,23,25,31)