tert-butyl 3-butyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate

Systemtic Name: tert-butyl 3-butyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 3-butyl-7-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate CAS Name: 3-butyl-7-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate Traditional Name: 3-butyl-7-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]enanthic acid tert-butyl ester Formula: C26H39N3O3S MolecularWeight: 473.67116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O3S/c1-6-7-10-18(15-23(30)32-26(2,3)4)11-8-9-14-28-25(31)22-17-20-16-19(24(27)33-5)12-13-21(20)29-22/h12-13,16-18,27,29H,6-11,14-15H2,1-5H3,(H,28,31)