ethyl 3-[3-[[3-[(2-methylpropan-2-yl)oxycarbonyl-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]sulfonylamino]phenyl]-3-(phenylsulfonylamino)propanoate

Systemtic Name: ethyl 3-[3-[[3-[(2-methylpropan-2-yl)oxycarbonyl-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]sulfonylamino]phenyl]-3-(phenylsulfonylamino)propanoate Openeye Name: ethyl 3-(benzenesulfonamido)-3-[3-[[3-[tert-butoxycarbonyl-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]amino]phenyl]sulfonylamino]phenyl]propanoate CAS Name: 3-[3-[[3-[[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]sulfonylamino]phenyl]-3-(benzenesulfonamido)propanoic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfonamido)-3-[3-[[3-[(2-methylpropan-2-yl)oxycarbonyl-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]sulfonylamino]phenyl]propanoate Traditional Name: 3-(benzenesulfonamido)-3-[3-[[3-[tert-butoxycarbonyl-[(Z)-N'-tert-butoxycarbonylamidino]amino]phenyl]sulfonylamino]phenyl]propionic acid ethyl ester Formula: C34H43N5O10S2 MolecularWeight: 745.86272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N(C(=NC(=O)OC(C)(C)C)N)C(=O)OC(C)(C)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N(/C(=N\C(=O)OC(C)(C)C)/N)C(=O)OC(C)(C)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C34H43N5O10S2/c1-8-47-29(40)22-28(38-50(43,44)26-17-10-9-11-18-26)23-14-12-15-24(20-23)37-51(45,46)27-19-13-16-25(21-27)39(32(42)49-34(5,6)7)30(35)36-31(41)48-33(2,3)4/h9-21,28,37-38H,8,22H2,1-7H3,(H2,35,36,41)