tert-butyl 7-[(6-carbamimidoyl-1H-indazol-3-yl)carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[(6-carbamimidoyl-1H-indazol-3-yl)carbonylamino]heptanoate Openeye Name: tert-butyl 7-[(6-carbamimidoyl-1H-indazole-3-carbonyl)amino]heptanoate CAS Name: 7-[[(6-carbamimidoyl-1H-indazol-3-yl)-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(6-carbamimidoyl-1H-indazole-3-carbonyl)amino]heptanoate Traditional Name: 7-[(6-amidino-1H-indazole-3-carbonyl)amino]enanthic acid tert-butyl ester Formula: C20H29N5O3 MolecularWeight: 387.47596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=NNC2=C1C=CC(=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=NNC2=C1C=CC(=C2)C(=N)N

InChI

InChI=1S/C20H29N5O3/c1-20(2,3)28-16(26)8-6-4-5-7-11-23-19(27)17-14-10-9-13(18(21)22)12-15(14)24-25-17/h9-10,12H,4-8,11H2,1-3H3,(H3,21,22)(H,23,27)(H,24,25)