methyl 2-[[2,6-dimethyl-4-[4-oxidanylidene-4-[3-[2-[2-[3-(phenylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]butoxy]phenyl]sulfonylamino]-3-[[1-[3-[[1-(triphenylmethyl)imidazol-2-yl]amino]propyl]indazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 2-[[2,6-dimethyl-4-[4-oxidanylidene-4-[3-[2-[2-[3-(phenylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]butoxy]phenyl]sulfonylamino]-3-[[1-[3-[[1-(triphenylmethyl)imidazol-2-yl]amino]propyl]indazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 2-[[4-[4-[3-[2-[2-[3-(benzyloxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-4-oxo-butoxy]-2,6-dimethyl-phenyl]sulfonylamino]-3-[[1-[3-[(1-tritylimidazol-2-yl)amino]propyl]indazole-5-carbonyl]amino]propanoate CAS Name: 2-[[2,6-dimethyl-4-[4-oxo-4-[3-[2-[2-[3-(phenylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]butoxy]phenyl]sulfonylamino]-3-[[oxo-[1-[3-[[1-(triphenylmethyl)-2-imidazolyl]amino]propyl]-5-indazolyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2,6-dimethyl-4-[4-oxo-4-[3-[2-[2-[3-(phenylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]butoxy]phenyl]sulfonylamino]-3-[[1-[3-[(1-tritylimidazol-2-yl)amino]propyl]indazole-5-carbonyl]amino]propanoate Traditional Name: 2-[[4-[4-[3-[2-[2-[3-(benzyloxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-4-keto-butoxy]-2,6-dimethyl-phenyl]sulfonylamino]-3-[[1-[3-[(1-tritylimidazol-2-yl)amino]propyl]indazole-5-carbonyl]amino]propionic acid methyl ester Formula: C67H79N9O12S MolecularWeight: 1234.46226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)NC(CNC(=O)C2=CC3=C(C=C2)N(N=C3)CCCNC4=NC=CN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OC)C)OCCCC(=O)NCCCOCCOCCOCCCNC(=O)OCC8=CC=CC=C8

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)NC(CNC(=O)C2=CC3=C(C=C2)N(N=C3)CCCNC4=NC=CN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OC)C)OCCCC(=O)NCCCOCCOCCOCCCNC(=O)OCC8=CC=CC=C8

InChI

InChI=1S/C67H79N9O12S/c1-50-44-58(87-39-16-28-61(77)68-32-18-37-84-40-42-86-43-41-85-38-19-33-71-66(80)88-49-52-20-8-4-9-21-52)45-51(2)62(50)89(81,82)74-59(64(79)83-3)48-72-63(78)53-29-30-60-54(46-53)47-73-76(60)35-17-31-69-65-70-34-36-75(65)67(55-22-10-5-11-23-55,56-24-12-6-13-25-56)57-26-14-7-15-27-57/h4-15,20-27,29-30,34,36,44-47,59,74H,16-19,28,31-33,35,37-43,48-49H2,1-3H3,(H,68,77)(H,69,70)(H,71,80)(H,72,78)