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tert-butyl 3-[[4-[4-[[[4-[4-[4-[4-[4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-chloranyl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-6-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-1,3,5-triazin-2-yl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]amino]propanoate

Systemtic Name:	tert-butyl 3-[[4-[4-[[[4-[4-[4-[4-[4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-chloranyl-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-6-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-1,3,5-triazin-2-yl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]amino]propanoate
Openeye Name:	tert-butyl 3-[[4-[bis[2-(tert-butoxycarbonylamino)ethyl]amino]-6-[4-[[[4-[4-[4-[4-[4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-chloro-1,3,5-triazin-2-yl]amino]methyl]-1-piperidyl]-1,3,5-triazin-2-yl]-(3-tert-butoxy-3-oxo-propyl)amino]propanoate
CAS Name:	3-[[4-[4-[[[4-[4-[4-[4-[4,6-bis(4-methyl-1-piperazinyl)-1,3,5-triazin-2-yl]-1-piperazinyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-6-chloro-1,3,5-triazin-2-yl]amino]methyl]-1-piperidinyl]-6-[bis[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]amino]-1,3,5-triazin-2-yl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]propanoic acid tert-butyl ester
IUPAC Name:	tert-butyl 3-[[4-[4-[[[4-[4-[4-[4-[4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-chloro-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]-6-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-1,3,5-triazin-2-yl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]propanoate
Traditional Name:	3-[[4-[bis[2-(tert-butoxycarbonylamino)ethyl]amino]-6-[4-[[[4-[4-[4-[4-[4,6-bis(4-methylpiperazino)-s-triazin-2-yl]piperazino]-6-[2-(2-hydroxyethoxy)ethylamino]-s-triazin-2-yl]piperazino]-6-chloro-s-triazin-2-yl]amino]methyl]piperidino]-s-triazin-2-yl]-(3-tert-butoxy-3-keto-propyl)amino]propionic acid tert-butyl ester
Formula:	C₆₈H₁₁₄ClN₂₇O₁₀
MolecularWeight:	1505.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN(CCC(=O)OC(C)(C)C)C1=NC(=NC(=N1)N2CCC(CC2)CNC3=NC(=NC(=N3)N4CCN(CC4)C5=NC(=NC(=N5)N6CCN(CC6)C7=NC(=NC(=N7)N8CCN(CC8)C)N9CCN(CC9)C)NCCOCCO)Cl)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCN(CCC(=O)OC(C)(C)C)C1=NC(=NC(=N1)N2CCC(CC2)CNC3=NC(=NC(=N3)N4CCN(CC4)C5=NC(=NC(=N5)N6CCN(CC6)C7=NC(=NC(=N7)N8CCN(CC8)C)N9CCN(CC9)C)NCCOCCO)Cl)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C68H114ClN27O10/c1-65(2,3)103-49(98)17-24-89(25-18-50(99)104-66(4,5)6)58-80-57(81-59(82-58)90(26-19-71-63(100)105-67(7,8)9)27-20-72-64(101)106-68(10,11)12)88-22-15-48(16-23-88)47-73-53-74-51(69)75-54(78-53)93-36-38-94(39-37-93)55-76-52(70-21-45-102-46-44-97)77-56(79-55)95-40-42-96(43-41-95)62-84-60(91-32-28-86(13)29-33-91)83-61(85-62)92-34-30-87(14)31-35-92/h48,97H,15-47H2,1-14H3,(H,71,100)(H,72,101)(H,70,76,77,79)(H,73,74,75,78)

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