2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(1,3-thiazol-2-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(1,3-thiazol-2-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(thiazol-2-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[oxo-(2-thiazolylmethylamino)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(1,3-thiazol-2-ylmethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(thiazol-2-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C31H29N5O4S MolecularWeight: 567.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=NC=CS4)C5=C(C=C(C=C5)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=NC=CS4)C5=C(C=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C31H29N5O4S/c1-3-36-17-21(23-8-6-19(29(32)33)14-27(23)36)12-18-4-5-20(30(37)35-16-28-34-10-11-41-28)13-25(18)24-9-7-22(40-2)15-26(24)31(38)39/h4-11,13-15,17H,3,12,16H2,1-2H3,(H3,32,33)(H,35,37)(H,38,39)