tert-butyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3-carbamimidoylphenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(3-carbamimidoylphenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(3-amidinobenzyl)-2-keto-2-(4-methylpiperidino)ethyl]carbamic acid tert-butyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)/t17-/m0/s1