(2,3-diacetyloxy-1-azanyl-cyclohexyl) 4-[(4-carbamimidoylphenyl)carbonylamino]-2,3-bis(oxidanylidene)pentanoate

Systemtic Name: (2,3-diacetyloxy-1-azanyl-cyclohexyl) 4-[(4-carbamimidoylphenyl)carbonylamino]-2,3-bis(oxidanylidene)pentanoate Openeye Name: (2,3-diacetoxy-1-amino-cyclohexyl) 4-[(4-carbamimidoylbenzoyl)amino]-2,3-dioxo-pentanoate CAS Name: 4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2,3-dioxopentanoic acid (2,3-diacetyloxy-1-aminocyclohexyl) ester IUPAC Name: (2,3-diacetyloxy-1-aminocyclohexyl) 4-[(4-carbamimidoylbenzoyl)amino]-2,3-dioxopentanoate Traditional Name: 4-[(4-amidinobenzoyl)amino]-2,3-diketo-valeric acid (2,3-diacetoxy-1-amino-cyclohexyl) ester Formula: C23H28N4O9 MolecularWeight: 504.48982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O9/c1-11(27-21(32)15-8-6-14(7-9-15)20(24)25)17(30)18(31)22(33)36-23(26)10-4-5-16(34-12(2)28)19(23)35-13(3)29/h6-9,11,16,19H,4-5,10,26H2,1-3H3,(H3,24,25)(H,27,32)