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

Systemtic Name: ditert-butyl 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]pentanedioate Openeye Name: ditert-butyl 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]pentanedioate CAS Name: 2-[[3-[(4-carbamimidoylanilino)-oxomethyl]phenyl]sulfonylamino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]pentanedioate Traditional Name: 2-[[3-[(4-amidinophenyl)carbamoyl]phenyl]sulfonylamino]glutaric acid ditert-butyl ester Formula: C27H36N4O7S MolecularWeight: 560.66234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(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)CCC(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/C27H36N4O7S/c1-26(2,3)37-22(32)15-14-21(25(34)38-27(4,5)6)31-39(35,36)20-9-7-8-18(16-20)24(33)30-19-12-10-17(11-13-19)23(28)29/h7-13,16,21,31H,14-15H2,1-6H3,(H3,28,29)(H,30,33)