3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[1-(C-phenylcarbonimidoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[1-(C-phenylcarbonimidoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 2-[4-[1-(benzenecarboximidoyl)pyrrolidin-3-yl]oxyphenyl]-3-(5-carbamimidoylbenzothiophen-2-yl)propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[1-[imino(phenyl)methyl]-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 2-[4-[1-(benzenecarboximidoyl)pyrrolidin-3-yl]oxyphenyl]-3-(5-carbamimidoyl-1-benzothiophen-2-yl)propanoic acid Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-(1-benzimidoylpyrrolidin-3-yl)oxyphenyl]propionic acid Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O)C(=N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC1OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O)C(=N)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3S/c30-27(31)20-8-11-26-21(14-20)15-24(37-26)16-25(29(34)35)18-6-9-22(10-7-18)36-23-12-13-33(17-23)28(32)19-4-2-1-3-5-19/h1-11,14-15,23,25,32H,12-13,16-17H2,(H3,30,31)(H,34,35)