ethyl 2-butyl-7-[[5-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-indol-2-yl]carbonylamino]heptanoate

Systemtic Name: ethyl 2-butyl-7-[[5-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-indol-2-yl]carbonylamino]heptanoate Openeye Name: ethyl 7-[[5-[(E)-N'-tert-butoxycarbonylcarbamimidoyl]-1H-indole-2-carbonyl]amino]-2-butyl-heptanoate CAS Name: 7-[[[5-[(E)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-1H-indol-2-yl]-oxomethyl]amino]-2-butylheptanoic acid ethyl ester IUPAC Name: ethyl 2-butyl-7-[[5-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-indole-2-carbonyl]amino]heptanoate Traditional Name: 7-[[5-[(E)-N'-tert-butoxycarbonylamidino]-1H-indole-2-carbonyl]amino]-2-butyl-enanthic acid ethyl ester Formula: C28H42N4O5 MolecularWeight: 514.65688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(CCCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)/C(=N\C(=O)OC(C)(C)C)/N)C(=O)OCC

InChI

InChI=1S/C28H42N4O5/c1-6-8-12-19(26(34)36-7-2)13-10-9-11-16-30-25(33)23-18-21-17-20(14-15-22(21)31-23)24(29)32-27(35)37-28(3,4)5/h14-15,17-19,31H,6-13,16H2,1-5H3,(H,30,33)(H2,29,32,35)