2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-(4-methylpiperazin-1-yl)propanoic acid

Systemtic Name: 2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-(4-methylpiperazin-1-yl)propanoic acid Openeye Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-(4-methylpiperazin-1-yl)propanoic acid CAS Name: 2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-(4-methyl-1-piperazinyl)propanoic acid IUPAC Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-(4-methylpiperazin-1-yl)propanoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-(4-methylpiperazino)propionic acid Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CC(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C21H33N3O5/c1-23-3-5-24(6-4-23)12-16(17(25)26)22-18(27)20-8-14-7-15(9-20)11-21(10-14,13-20)19(28)29-2/h14-16H,3-13H2,1-2H3,(H,22,27)(H,25,26)