tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate Openeye Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-(1-methyl-4-piperidyl)piperazine-2-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-4-(1-methyl-4-piperidinyl)-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-4-(1-methyl-4-piperidyl)piperazine-2-carboxylic acid tert-butyl ester Formula: C21H41N5O3 MolecularWeight: 411.58194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCN1C(=O)C(CCCCN)N)C2CCN(CC2)C

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCN1C(=O)C(CCCCN)N)C2CCN(CC2)C

InChI

InChI=1S/C21H41N5O3/c1-21(2,3)29-20(28)18-15-25(16-8-11-24(4)12-9-16)13-14-26(18)19(27)17(23)7-5-6-10-22/h16-18H,5-15,22-23H2,1-4H3