2-[[2-[(4-acetamidophenyl)sulfonylamino]-3-oxidanyl-butanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-4-methyl-pentanamide

Systemtic Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-3-oxidanyl-butanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-4-methyl-pentanamide Openeye Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxy-butanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-4-methyl-pentanamide CAS Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxy-1-oxobutyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-4-methylpentanamide IUPAC Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-4-methylpentanamide Traditional Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxy-butanoyl]amino]-N-(4-amidinobenzyl)-4-methyl-valeramide Formula: C26H36N6O6S MolecularWeight: 560.66564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N6O6S/c1-15(2)13-22(25(35)29-14-18-5-7-19(8-6-18)24(27)28)31-26(36)23(16(3)33)32-39(37,38)21-11-9-20(10-12-21)30-17(4)34/h5-12,15-16,22-23,32-33H,13-14H2,1-4H3,(H3,27,28)(H,29,35)(H,30,34)(H,31,36)