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

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(1-hexanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-(1-hexanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[1-(1-iminohexyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(1-hexanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-(1-hexanimidoylpyrrolidin-3-yl)oxyphenyl]propionic acid Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CCCCCC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C28H34N4O3S/c1-2-3-4-5-26(29)32-13-12-22(17-32)35-21-9-6-18(7-10-21)24(28(33)34)16-23-15-20-14-19(27(30)31)8-11-25(20)36-23/h6-11,14-15,22,24,29H,2-5,12-13,16-17H2,1H3,(H3,30,31)(H,33,34)