7-[[5-carbamimidoyl-1-(phenylmethyl)indol-2-yl]carbonylamino]heptanoic acid

Systemtic Name: 7-[[5-carbamimidoyl-1-(phenylmethyl)indol-2-yl]carbonylamino]heptanoic acid Openeye Name: 7-[(1-benzyl-5-carbamimidoyl-indole-2-carbonyl)amino]heptanoic acid CAS Name: 7-[[[5-carbamimidoyl-1-(phenylmethyl)-2-indolyl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(1-benzyl-5-carbamimidoylindole-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(5-amidino-1-benzyl-indole-2-carbonyl)amino]enanthic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=N)N)C=C2C(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=N)N)C=C2C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C24H28N4O3/c25-23(26)18-11-12-20-19(14-18)15-21(28(20)16-17-8-4-3-5-9-17)24(31)27-13-7-2-1-6-10-22(29)30/h3-5,8-9,11-12,14-15H,1-2,6-7,10,13,16H2,(H3,25,26)(H,27,31)(H,29,30)