N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3,3-dimethyl-2-[(phenylmethyl)sulfonylamino]butanamide

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3,3-dimethyl-2-[(phenylmethyl)sulfonylamino]butanamide Openeye Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3,3-dimethyl-butanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3,3-dimethyl-2-[(phenylmethyl)sulfonylamino]butanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3,3-dimethylbutanamide Traditional Name: N-[1-[(4-amidinobenzyl)carbamoyl]-3-(methylthio)propyl]-2-(benzylsulfonylamino)-3,3-dimethyl-butyramide Formula: C26H37N5O4S2 MolecularWeight: 547.73308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC(CCSC)C(=O)NCC1=CC=C(C=C1)C(=N)N)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(C(=O)NC(CCSC)C(=O)NCC1=CC=C(C=C1)C(=N)N)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C26H37N5O4S2/c1-26(2,3)22(31-37(34,35)17-19-8-6-5-7-9-19)25(33)30-21(14-15-36-4)24(32)29-16-18-10-12-20(13-11-18)23(27)28/h5-13,21-22,31H,14-17H2,1-4H3,(H3,27,28)(H,29,32)(H,30,33)