2-azanyl-5-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]phenyl]-methyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]phenyl]-methyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-N-methyl-anilino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-N-methylanilino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-N-methylanilino]-5-oxopentanoic acid Traditional Name: 5-[4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-N-methyl-anilino]-2-amino-5-keto-valeric acid Formula: C24H26N4O5S3 MolecularWeight: 546.68204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C(=O)CCC(C(=O)O)N

Isomeric SMILES

CN(C1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C(=O)CCC(C(=O)O)N

InChI

InChI=1S/C24H26N4O5S3/c1-28(21(29)11-10-18(25)23(30)31)16-8-6-14(7-9-16)15-4-3-5-17(12-15)36(32,33)20-13-19(22(26)27)35-24(20)34-2/h3-9,12-13,18H,10-11,25H2,1-2H3,(H3,26,27)(H,30,31)