tert-butyl (4S)-5-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl (4S)-5-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl (4S)-4-(benzyloxycarbonylamino)-5-(4-methylpiperazin-1-yl)pentanoate CAS Name: (4S)-5-(4-methyl-1-piperazinyl)-4-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-(4-methylpiperazino)valeric acid tert-butyl ester Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CN1CCN(CC1)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](CN1CCN(CC1)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H35N3O4/c1-22(2,3)29-20(26)11-10-19(16-25-14-12-24(4)13-15-25)23-21(27)28-17-18-8-6-5-7-9-18/h5-9,19H,10-17H2,1-4H3,(H,23,27)/t19-/m0/s1