phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(4-methylpentanoylamino)benzenesulfonate

Systemtic Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(4-methylpentanoylamino)benzenesulfonate Openeye Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(4-methylpentanoylamino)benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-[(4-methyl-1-oxopentyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(4-methylpentanoylamino)benzenesulfonate Traditional Name: 3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]-4-(4-methylpentanoylamino)benzenesulfonic acid phenyl ester Formula: C23H28N4O8S MolecularWeight: 520.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N(C(=NC(=O)OC)N)C(=O)OC

Isomeric SMILES

CC(C)CCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N(/C(=N\C(=O)OC)/N)C(=O)OC

InChI

InChI=1S/C23H28N4O8S/c1-15(2)10-13-20(28)25-18-12-11-17(36(31,32)35-16-8-6-5-7-9-16)14-19(18)27(23(30)34-4)21(24)26-22(29)33-3/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,25,28)(H2,24,26,29)