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

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[1-(C-cyclopropylcarbonimidoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-[1-(cyclopropanecarboximidoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[1-[cyclopropyl(imino)methyl]-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[1-(cyclopropanecarboximidoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-[1-(cyclopropanecarboximidoyl)pyrrolidin-3-yl]oxyphenyl]propionic acid Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=N)N2CCC(C2)OC3=CC=C(C=C3)C(CC4=CC5=C(S4)C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

C1CC1C(=N)N2CCC(C2)OC3=CC=C(C=C3)C(CC4=CC5=C(S4)C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C26H28N4O3S/c27-24(28)17-5-8-23-18(11-17)12-21(34-23)13-22(26(31)32)15-3-6-19(7-4-15)33-20-9-10-30(14-20)25(29)16-1-2-16/h3-8,11-12,16,20,22,29H,1-2,9-10,13-14H2,(H3,27,28)(H,31,32)