[1-azanyl-2,3-bis(oxidanyl)cyclohexyl] 2-[(4-carbamimidoylphenyl)carbonylamino]propanoate

Systemtic Name: [1-azanyl-2,3-bis(oxidanyl)cyclohexyl] 2-[(4-carbamimidoylphenyl)carbonylamino]propanoate Openeye Name: (1-amino-2,3-dihydroxy-cyclohexyl) 2-[(4-carbamimidoylbenzoyl)amino]propanoate CAS Name: 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propanoic acid (1-amino-2,3-dihydroxycyclohexyl) ester IUPAC Name: (1-amino-2,3-dihydroxycyclohexyl) 2-[(4-carbamimidoylbenzoyl)amino]propanoate Traditional Name: 2-[(4-amidinobenzoyl)amino]propionic acid (1-amino-2,3-dihydroxy-cyclohexyl) ester Formula: C17H24N4O5 MolecularWeight: 364.39626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1(CCCC(C1O)O)N)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C(=O)OC1(CCCC(C1O)O)N)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H24N4O5/c1-9(16(25)26-17(20)8-2-3-12(22)13(17)23)21-15(24)11-6-4-10(5-7-11)14(18)19/h4-7,9,12-13,22-23H,2-3,8,20H2,1H3,(H3,18,19)(H,21,24)