(phenylmethyl) 2-[[4-(5-azanylpentylcarbamoyl)-1H-imidazol-5-yl]carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-(5-azanylpentylcarbamoyl)-1H-imidazol-5-yl]carbonylamino]ethanoate Openeye Name: benzyl 2-[[4-(5-aminopentylcarbamoyl)-1H-imidazole-5-carbonyl]amino]acetate CAS Name: 2-[[[4-[(5-aminopentylamino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(5-aminopentylcarbamoyl)-1H-imidazole-5-carbonyl]amino]acetate Traditional Name: 2-[[4-(5-aminopentylcarbamoyl)-1H-imidazole-5-carbonyl]amino]acetic acid benzyl ester Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=C(N=CN2)C(=O)NCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=C(N=CN2)C(=O)NCCCCCN

InChI

InChI=1S/C19H25N5O4/c20-9-5-2-6-10-21-18(26)16-17(24-13-23-16)19(27)22-11-15(25)28-12-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12,20H2,(H,21,26)(H,22,27)(H,23,24)