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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-2-3-7-14(21(27)28)8-5-4-6-11-24-20(26)18-13-16-12-15(19(22)23)9-10-17(16)25-18/h9-10,12-14,25H,2-8,11H2,1H3,(H3,22,23)(H,24,26)(H,27,28)