(2,3-diacetyloxy-1-azanyl-cyclohexyl) 2-[(2-carbamimidoylphenyl)carbonylamino]propanoate

Systemtic Name: (2,3-diacetyloxy-1-azanyl-cyclohexyl) 2-[(2-carbamimidoylphenyl)carbonylamino]propanoate Openeye Name: (2,3-diacetoxy-1-amino-cyclohexyl) 2-[(2-carbamimidoylbenzoyl)amino]propanoate CAS Name: 2-[[(2-carbamimidoylphenyl)-oxomethyl]amino]propanoic acid (2,3-diacetyloxy-1-aminocyclohexyl) ester IUPAC Name: (2,3-diacetyloxy-1-aminocyclohexyl) 2-[(2-carbamimidoylbenzoyl)amino]propanoate Traditional Name: 2-[(2-amidinobenzoyl)amino]propionic acid (2,3-diacetoxy-1-amino-cyclohexyl) ester Formula: C21H28N4O7 MolecularWeight: 448.46962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1(CCCC(C1OC(=O)C)OC(=O)C)N)NC(=O)C2=CC=CC=C2C(=N)N

Isomeric SMILES

CC(C(=O)OC1(CCCC(C1OC(=O)C)OC(=O)C)N)NC(=O)C2=CC=CC=C2C(=N)N

InChI

InChI=1S/C21H28N4O7/c1-11(25-19(28)15-8-5-4-7-14(15)18(22)23)20(29)32-21(24)10-6-9-16(30-12(2)26)17(21)31-13(3)27/h4-5,7-8,11,16-17H,6,9-10,24H2,1-3H3,(H3,22,23)(H,25,28)