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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CCC(=O)O)N)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(CCC(=O)O)N)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

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