methyl N-[3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]carbamoyl]-1-methylsulfonyl-6-phenyl-hexan-3-yl]carbamate

Systemtic Name: methyl N-[3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]carbamoyl]-1-methylsulfonyl-6-phenyl-hexan-3-yl]carbamate Openeye Name: methyl N-[1-[[2-[(5-carbamimidoyl-2-thienyl)methylamino]-2-oxo-ethyl]carbamoyl]-1-(2-methylsulfonylethyl)-4-phenyl-butyl]carbamate CAS Name: N-[3-[[[2-[(5-carbamimidoyl-2-thiophenyl)methylamino]-2-oxoethyl]amino]-oxomethyl]-1-methylsulfonyl-6-phenylhexan-3-yl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxoethyl]carbamoyl]-1-methylsulfonyl-6-phenylhexan-3-yl]carbamate Traditional Name: N-[1-[[2-[(5-amidino-2-thienyl)methylamino]-2-keto-ethyl]carbamoyl]-1-(2-mesylethyl)-4-phenyl-butyl]carbamic acid methyl ester Formula: C24H33N5O6S2 MolecularWeight: 551.67872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CCCC1=CC=CC=C1)(CCS(=O)(=O)C)C(=O)NCC(=O)NCC2=CC=C(S2)C(=N)N

Isomeric SMILES

COC(=O)NC(CCCC1=CC=CC=C1)(CCS(=O)(=O)C)C(=O)NCC(=O)NCC2=CC=C(S2)C(=N)N

InChI

InChI=1S/C24H33N5O6S2/c1-35-23(32)29-24(13-14-37(2,33)34,12-6-9-17-7-4-3-5-8-17)22(31)28-16-20(30)27-15-18-10-11-19(36-18)21(25)26/h3-5,7-8,10-11H,6,9,12-16H2,1-2H3,(H3,25,26)(H,27,30)(H,28,31)(H,29,32)