O4-tert-butyl O1-methyl 2-[[3-[(4-carbamimidoylphenyl)carbonylamino]phenyl]carbonylamino]butanedioate

Systemtic Name: O4-tert-butyl O1-methyl 2-[[3-[(4-carbamimidoylphenyl)carbonylamino]phenyl]carbonylamino]butanedioate Openeye Name: O4-tert-butyl O1-methyl 2-[[3-[(4-carbamimidoylbenzoyl)amino]benzoyl]amino]butanedioate CAS Name: 2-[[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]butanedioic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl 2-[[3-[(4-carbamimidoylbenzoyl)amino]benzoyl]amino]butanedioate Traditional Name: 2-[[3-[(4-amidinobenzoyl)amino]benzoyl]amino]succinic acid O4-tert-butyl ester O1-methyl ester Formula: C24H28N4O6 MolecularWeight: 468.50232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)OC)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)OC)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C24H28N4O6/c1-24(2,3)34-19(29)13-18(23(32)33-4)28-22(31)16-6-5-7-17(12-16)27-21(30)15-10-8-14(9-11-15)20(25)26/h5-12,18H,13H2,1-4H3,(H3,25,26)(H,27,30)(H,28,31)