tert-butyl 4-[(3S)-3-[(4-oxidanyl-1-adamantyl)carbonylamino]piperidin-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3S)-3-[(4-oxidanyl-1-adamantyl)carbonylamino]piperidin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-3-[(4-hydroxyadamantane-1-carbonyl)amino]piperidine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3S)-3-[[(4-hydroxy-1-adamantyl)-oxomethyl]amino]-1-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-3-[(4-hydroxyadamantane-1-carbonyl)amino]piperidine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-3-[(4-hydroxyadamantane-1-carbonyl)amino]piperidine-1-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H42N4O5 MolecularWeight: 490.63548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCCC(C2)NC(=O)C34CC5CC(C3)C(C(C5)C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCC[C@@H](C2)NC(=O)C34CC5CC(C3)C(C(C5)C4)O

InChI

InChI=1S/C26H42N4O5/c1-25(2,3)35-24(34)29-9-7-28(8-10-29)23(33)30-6-4-5-20(16-30)27-22(32)26-13-17-11-18(14-26)21(31)19(12-17)15-26/h17-21,31H,4-16H2,1-3H3,(H,27,32)/t17?,18?,19?,20-,21?,26?/m0/s1