3-butyl-7-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]heptanoic acid

Systemtic Name: 3-butyl-7-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]heptanoic acid Openeye Name: 3-butyl-7-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]heptanoic acid CAS Name: 3-butyl-7-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]heptanoic acid IUPAC Name: 3-butyl-7-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(5-amidino-1H-indole-2-carbonyl)amino]-3-butyl-enanthic acid Formula: C21H30N4O3 MolecularWeight: 386.4879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)N)CC(=O)O

Isomeric SMILES

CCCCC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C21H30N4O3/c1-2-3-6-14(11-19(26)27)7-4-5-10-24-21(28)18-13-16-12-15(20(22)23)8-9-17(16)25-18/h8-9,12-14,25H,2-7,10-11H2,1H3,(H3,22,23)(H,24,28)(H,26,27)