N-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-4-oxidanylidene-butyl]-3-[2-[4-[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-6-oxidanylidene-hexyl]carbamoyl]phenyl]ethynyl]benzamide

Systemtic Name: N-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-4-oxidanylidene-butyl]-3-[2-[4-[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-6-oxidanylidene-hexyl]carbamoyl]phenyl]ethynyl]benzamide Openeye Name: N-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-4-oxo-butyl]-3-[2-[4-[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxo-hexyl]carbamoyl]phenyl]ethynyl]benzamide CAS Name: N-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-4-oxobutyl]-3-[2-[4-[[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxohexyl]amino]-oxomethyl]phenyl]ethynyl]benzamide IUPAC Name: N-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-4-oxobutyl]-3-[2-[4-[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxohexyl]carbamoyl]phenyl]ethynyl]benzamide Traditional Name: N-[4-keto-4-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]-[2-keto-2-(phenethylamino)ethyl]amino]butyl]-3-[2-[4-[[6-keto-6-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]-[2-keto-2-(phenethylamino)ethyl]amino]hexyl]carbamoyl]phenyl]ethynyl]benzamide Formula: C68H78N8O10 MolecularWeight: 1167.39452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CN(CC(=O)NCCC2=CC=CC=C2)C(=O)CCCCCNC(=O)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)C(=O)NCCCC(=O)N(CC(=O)NCCC5=CC=CC=C5)CC(=O)NCCC6=CC=C(C=C6)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CN(CC(=O)NCCC2=CC=CC=C2)C(=O)CCCCCNC(=O)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)C(=O)NCCCC(=O)N(CC(=O)NCCC5=CC=CC=C5)CC(=O)NCCC6=CC=C(C=C6)OC

InChI

InChI=1S/C68H78N8O10/c1-85-59-32-26-54(27-33-59)38-44-71-62(78)48-75(47-61(77)69-42-36-51-14-6-3-7-15-51)65(81)20-10-5-11-40-73-67(83)57-30-24-53(25-31-57)22-23-56-18-12-19-58(46-56)68(84)74-41-13-21-66(82)76(49-63(79)70-43-37-52-16-8-4-9-17-52)50-64(80)72-45-39-55-28-34-60(86-2)35-29-55/h3-4,6-9,12,14-19,24-35,46H,5,10-11,13,20-21,36-45,47-50H2,1-2H3,(H,69,77)(H,70,79)(H,71,78)(H,72,80)(H,73,83)(H,74,84)