tert-butyl 7-[2-[(3-carbamimidoylphenyl)amino]ethanoylamino]heptanoate

Systemtic Name: tert-butyl 7-[2-[(3-carbamimidoylphenyl)amino]ethanoylamino]heptanoate Openeye Name: tert-butyl 7-[[2-(3-carbamimidoylanilino)acetyl]amino]heptanoate CAS Name: 7-[[2-(3-carbamimidoylanilino)-1-oxoethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-(3-carbamimidoylanilino)acetyl]amino]heptanoate Traditional Name: 7-[[2-(3-amidinoanilino)acetyl]amino]enanthic acid tert-butyl ester Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)CNC1=CC=CC(=C1)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)CNC1=CC=CC(=C1)C(=N)N

InChI

InChI=1S/C20H32N4O3/c1-20(2,3)27-18(26)11-6-4-5-7-12-23-17(25)14-24-16-10-8-9-15(13-16)19(21)22/h8-10,13,24H,4-7,11-12,14H2,1-3H3,(H3,21,22)(H,23,25)