tert-butyl 7-[[6-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-indol-3-yl]carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[[6-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-indol-3-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 7-[[6-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]-1H-indole-3-carbonyl]amino]heptanoate CAS Name: 7-[[[6-[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-1H-indol-3-yl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[6-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-indole-3-carbonyl]amino]heptanoate Traditional Name: 7-[[6-[(Z)-N'-tert-butoxycarbonylamidino]-1H-indole-3-carbonyl]amino]enanthic acid tert-butyl ester Formula: C26H38N4O5 MolecularWeight: 486.60372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CNC2=C1C=CC(=C2)C(=NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CNC2=C1C=CC(=C2)/C(=N/C(=O)OC(C)(C)C)/N

InChI

InChI=1S/C26H38N4O5/c1-25(2,3)34-21(31)11-9-7-8-10-14-28-23(32)19-16-29-20-15-17(12-13-18(19)20)22(27)30-24(33)35-26(4,5)6/h12-13,15-16,29H,7-11,14H2,1-6H3,(H,28,32)(H2,27,30,33)