tert-butyl N-[N'-[2-[3-[4-(aminomethyl)-2-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethoxy]phenyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-[2-[3-[4-(aminomethyl)-2-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethoxy]phenyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N'-[2-[3-[4-(aminomethyl)-2-[2-[bis(tert-butoxycarbonylamino)methyleneamino]ethoxy]phenyl]phenoxy]ethyl]-N-tert-butoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[2-[3-[4-(aminomethyl)-2-[2-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]ethoxy]phenyl]phenoxy]ethylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[2-[3-[4-(aminomethyl)-2-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethoxy]phenyl]phenoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[2-[3-[4-(aminomethyl)-2-[2-[bis(tert-butoxycarbonylamino)methyleneamino]ethoxy]phenyl]phenoxy]ethyl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C39H59N7O10 MolecularWeight: 785.92666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCOC1=CC=CC(=C1)C2=C(C=C(C=C2)CN)OCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCOC1=CC=CC(=C1)C2=C(C=C(C=C2)CN)OCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C39H59N7O10/c1-36(2,3)53-32(47)43-30(44-33(48)54-37(4,5)6)41-18-20-51-27-15-13-14-26(23-27)28-17-16-25(24-40)22-29(28)52-21-19-42-31(45-34(49)55-38(7,8)9)46-35(50)56-39(10,11)12/h13-17,22-23H,18-21,24,40H2,1-12H3,(H2,41,43,44,47,48)(H2,42,45,46,49,50)