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

Systemtic Name: N-[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-6-oxidanylidene-hexyl]-4-[4-[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(phenethylamino)ethyl]amino]-6-oxidanylidene-hexyl]carbamoyl]phenyl]benzamide Openeye Name: N-[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxo-hexyl]-4-[4-[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxo-hexyl]carbamoyl]phenyl]benzamide CAS Name: N-[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxohexyl]-4-[4-[[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxohexyl]amino]-oxomethyl]phenyl]benzamide IUPAC Name: N-[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxohexyl]-4-[4-[[6-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(phenethylamino)ethyl]amino]-6-oxohexyl]carbamoyl]phenyl]benzamide Traditional Name: N-[6-keto-6-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]-[2-keto-2-(phenethylamino)ethyl]amino]hexyl]-4-[4-[[6-keto-6-[[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]-[2-keto-2-(phenethylamino)ethyl]amino]hexyl]carbamoyl]phenyl]benzamide Formula: C68H82N8O10 MolecularWeight: 1171.42628

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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)C4=CC=C(C=C4)C(=O)NCCCCCC(=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)C4=CC=C(C=C4)C(=O)NCCCCCC(=O)N(CC(=O)NCCC5=CC=CC=C5)CC(=O)NCCC6=CC=C(C=C6)OC

InChI

InChI=1S/C68H82N8O10/c1-85-59-33-21-53(22-34-59)39-45-71-63(79)49-75(47-61(77)69-43-37-51-15-7-3-8-16-51)65(81)19-11-5-13-41-73-67(83)57-29-25-55(26-30-57)56-27-31-58(32-28-56)68(84)74-42-14-6-12-20-66(82)76(48-62(78)70-44-38-52-17-9-4-10-18-52)50-64(80)72-46-40-54-23-35-60(86-2)36-24-54/h3-4,7-10,15-18,21-36H,5-6,11-14,19-20,37-50H2,1-2H3,(H,69,77)(H,70,78)(H,71,79)(H,72,80)(H,73,83)(H,74,84)