N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-(ethylsulfonylamino)-4-methyl-pentanamide

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-(ethylsulfonylamino)-4-methyl-pentanamide Openeye Name: N-[1-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-2-(ethylsulfonylamino)-4-methyl-pentanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-(ethylsulfonylamino)-4-methylpentanamide IUPAC Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-(ethylsulfonylamino)-4-methylpentanamide Traditional Name: N-[1-[(4-amidinobenzyl)carbamoyl]-3-(methylthio)propyl]-2-(esylamino)-4-methyl-valeramide Formula: C21H35N5O4S2 MolecularWeight: 485.6637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCS(=O)(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C21H35N5O4S2/c1-5-32(29,30)26-18(12-14(2)3)21(28)25-17(10-11-31-4)20(27)24-13-15-6-8-16(9-7-15)19(22)23/h6-9,14,17-18,26H,5,10-13H2,1-4H3,(H3,22,23)(H,24,27)(H,25,28)