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

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-3-ethylsulfanyl-1-oxidanylidene-propan-2-yl]-3,3-dimethyl-2-[(phenylmethyl)sulfonylamino]butanamide Openeye Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-(ethylsulfanylmethyl)-2-oxo-ethyl]-3,3-dimethyl-butanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-3-(ethylthio)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(phenylmethyl)sulfonylamino]butanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-3-ethylsulfanyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-1-[(ethylthio)methyl]-2-keto-ethyl]-2-(benzylsulfonylamino)-3,3-dimethyl-butyramide Formula: C26H37N5O4S2 MolecularWeight: 547.73308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O4S2/c1-5-36-16-21(24(32)29-15-18-11-13-20(14-12-18)23(27)28)30-25(33)22(26(2,3)4)31-37(34,35)17-19-9-7-6-8-10-19/h6-14,21-22,31H,5,15-17H2,1-4H3,(H3,27,28)(H,29,32)(H,30,33)