2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(thiazol-4-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[oxo-(4-thiazolylmethylamino)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(thiazol-4-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=CSC=N4)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=CSC=N4)C5=C(C=C(C=C5)OC)C(=O)O

InChI

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