tert-butyl 4-[3-methoxy-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-methoxy-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-methoxy-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxo-propyl]piperazine-1-carboxylate CAS Name: 4-[3-methoxy-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-methoxy-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxopropyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-keto-3-methoxy-propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H41N3O7 MolecularWeight: 507.61964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C26H41N3O7/c1-24(2,3)36-23(33)29-8-6-28(7-9-29)15-19(20(30)34-4)27-21(31)25-11-17-10-18(12-25)14-26(13-17,16-25)22(32)35-5/h17-19H,6-16H2,1-5H3,(H,27,31)