methyl N-[3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]carbamoyl]-1-methylsulfonyl-5-phenyl-pentan-3-yl]carbamate

Systemtic Name: methyl N-[3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]carbamoyl]-1-methylsulfonyl-5-phenyl-pentan-3-yl]carbamate Openeye Name: methyl N-[1-[[2-[(5-carbamimidoyl-2-thienyl)methylamino]-2-oxo-ethyl]carbamoyl]-1-(2-methylsulfonylethyl)-3-phenyl-propyl]carbamate CAS Name: N-[3-[[[2-[(5-carbamimidoyl-2-thiophenyl)methylamino]-2-oxoethyl]amino]-oxomethyl]-1-methylsulfonyl-5-phenylpentan-3-yl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxoethyl]carbamoyl]-1-methylsulfonyl-5-phenylpentan-3-yl]carbamate Traditional Name: N-[1-[[2-[(5-amidino-2-thienyl)methylamino]-2-keto-ethyl]carbamoyl]-1-(2-mesylethyl)-3-phenyl-propyl]carbamic acid methyl ester Formula: C23H31N5O6S2 MolecularWeight: 537.65214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CCC1=CC=CC=C1)(CCS(=O)(=O)C)C(=O)NCC(=O)NCC2=CC=C(S2)C(=N)N

Isomeric SMILES

COC(=O)NC(CCC1=CC=CC=C1)(CCS(=O)(=O)C)C(=O)NCC(=O)NCC2=CC=C(S2)C(=N)N

InChI

InChI=1S/C23H31N5O6S2/c1-34-22(31)28-23(12-13-36(2,32)33,11-10-16-6-4-3-5-7-16)21(30)27-15-19(29)26-14-17-8-9-18(35-17)20(24)25/h3-9H,10-15H2,1-2H3,(H3,24,25)(H,26,29)(H,27,30)(H,28,31)