ditert-butyl 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]butanedioate

Systemtic Name: ditert-butyl 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]butanedioate Openeye Name: ditert-butyl 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]butanedioate CAS Name: 2-[[3-[(4-carbamimidoylanilino)-oxomethyl]phenyl]sulfonylamino]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]butanedioate Traditional Name: 2-[[3-[(4-amidinophenyl)carbamoyl]phenyl]sulfonylamino]succinic acid ditert-butyl ester Formula: C26H34N4O7S MolecularWeight: 546.63576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C26H34N4O7S/c1-25(2,3)36-21(31)15-20(24(33)37-26(4,5)6)30-38(34,35)19-9-7-8-17(14-19)23(32)29-18-12-10-16(11-13-18)22(27)28/h7-14,20,30H,15H2,1-6H3,(H3,27,28)(H,29,32)