2-[3-[3-(aminocarbonylamino)phenyl]-5-(5-carbamimidoyl-1H-indol-2-yl)-4-oxidanyl-phenyl]butanedioic acid

Systemtic Name: 2-[3-[3-(aminocarbonylamino)phenyl]-5-(5-carbamimidoyl-1H-indol-2-yl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-ureidophenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-[3-(carbamoylamino)phenyl]-4-hydroxyphenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-[3-(carbamoylamino)phenyl]-4-hydroxyphenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-4-hydroxy-5-(3-ureidophenyl)phenyl]succinic acid Formula: C26H23N5O6 MolecularWeight: 501.49072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)N)C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)N)C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H23N5O6/c27-24(28)13-4-5-20-15(6-13)10-21(31-20)19-9-14(18(25(35)36)11-22(32)33)8-17(23(19)34)12-2-1-3-16(7-12)30-26(29)37/h1-10,18,31,34H,11H2,(H3,27,28)(H,32,33)(H,35,36)(H3,29,30,37)