2-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]-3-phenyl-propionic acid Formula: C29H28N4O5S3 MolecularWeight: 608.75142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

InChI

InChI=1S/C29H28N4O5S3/c1-17-8-6-13-21(32-29(36)33-22(27(34)35)14-18-9-4-3-5-10-18)25(17)19-11-7-12-20(15-19)41(37,38)24-16-23(26(30)31)40-28(24)39-2/h3-13,15-16,22H,14H2,1-2H3,(H3,30,31)(H,34,35)(H2,32,33,36)