(phenylmethyl) (2S)-2-[[5-(piperidin-1-ium-4-ylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[5-(piperidin-1-ium-4-ylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[[5-(piperidin-1-ium-4-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[5-[oxo-(4-piperidin-1-iumylamino)methyl]-1H-imidazol-4-yl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[5-(piperidin-1-ium-4-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[5-(piperidin-1-ium-4-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]propionic acid benzyl ester Formula: C20H26N5O4+ MolecularWeight: 400.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC3CC[NH2+]CC3

InChI

InChI=1S/C20H25N5O4/c1-13(20(28)29-11-14-5-3-2-4-6-14)24-18(26)16-17(23-12-22-16)19(27)25-15-7-9-21-10-8-15/h2-6,12-13,15,21H,7-11H2,1H3,(H,22,23)(H,24,26)(H,25,27)/p+1/t13-/m0/s1