(phenylmethyl) N-[1-[[2-aminocarbonyl-2-(2-azanyl-1H-imidazol-3-ium-3-yl)-4-tert-butyl-piperazin-1-yl]carbonyl-tert-butyl-amino]propyl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[2-aminocarbonyl-2-(2-azanyl-1H-imidazol-3-ium-3-yl)-4-tert-butyl-piperazin-1-yl]carbonyl-tert-butyl-amino]propyl]carbamate Openeye Name: benzyl N-[1-[[2-(2-amino-1H-imidazol-3-ium-3-yl)-4-tert-butyl-2-carbamoyl-piperazine-1-carbonyl]-tert-butyl-amino]propyl]carbamate CAS Name: N-[1-[[[2-(2-amino-1H-imidazol-3-ium-3-yl)-4-tert-butyl-2-carbamoyl-1-piperazinyl]-oxomethyl]-tert-butylamino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[[2-(2-amino-1H-imidazol-3-ium-3-yl)-4-tert-butyl-2-carbamoylpiperazine-1-carbonyl]-tert-butylamino]propyl]carbamate Traditional Name: N-[1-[[2-(2-amino-1H-imidazol-3-ium-3-yl)-4-tert-butyl-2-carbamoyl-piperazine-1-carbonyl]-tert-butyl-amino]propyl]carbamic acid benzyl ester Formula: C28H45N8O4+ MolecularWeight: 557.7081

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)OCC1=CC=CC=C1)N(C(=O)N2CCN(CC2(C(=O)N)[N+]3=C(NC=C3)N)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCC(NC(=O)OCC1=CC=CC=C1)N(C(=O)N2CCN(CC2(C(=O)N)[N+]3=C(NC=C3)N)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C28H44N8O4/c1-8-21(32-24(38)40-18-20-12-10-9-11-13-20)36(27(5,6)7)25(39)35-17-16-33(26(2,3)4)19-28(35,22(29)37)34-15-14-31-23(34)30/h9-15,21H,8,16-19H2,1-7H3,(H5,29,30,31,32,37,38)/p+1