tert-butyl 3-[4-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]butyl]nonanoate

Systemtic Name: tert-butyl 3-[4-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]butyl]nonanoate Openeye Name: tert-butyl 3-[4-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]butyl]nonanoate CAS Name: 3-[4-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]butyl]nonanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]butyl]nonanoate Traditional Name: 3-[4-[(5-amidino-1H-indole-2-carbonyl)amino]butyl]pelargonic acid tert-butyl ester Formula: C27H42N4O3 MolecularWeight: 470.64738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N4O3/c1-5-6-7-8-11-19(16-24(32)34-27(2,3)4)12-9-10-15-30-26(33)23-18-21-17-20(25(28)29)13-14-22(21)31-23/h13-14,17-19,31H,5-12,15-16H2,1-4H3,(H3,28,29)(H,30,33)