3-(aminocarbonylamino)-6-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]hexanoic acid

Systemtic Name: 3-(aminocarbonylamino)-6-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]hexanoic acid Openeye Name: 6-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]-3-ureido-hexanoic acid CAS Name: 6-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]-3-(carbamoylamino)hexanoic acid IUPAC Name: 6-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]-3-(carbamoylamino)hexanoic acid Traditional Name: 6-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-3-ureido-hexanoic acid Formula: C26H30N4O5S3 MolecularWeight: 574.7352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O5S3/c1-15-6-3-7-16(8-4-10-18(13-22(31)32)30-26(29)33)23(15)17-9-5-11-19(12-17)38(34,35)21-14-20(24(27)28)37-25(21)36-2/h3,5-7,9,11-12,14,18H,4,8,10,13H2,1-2H3,(H3,27,28)(H,31,32)(H3,29,30,33)