2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[2-[2-[2-[2-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxidanylidene-1H-indeno[1,2-c]pyrazol-3-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[2-[2-[2-[2-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxidanylidene-1H-indeno[1,2-c]pyrazol-3-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[4-[5-(morpholinocarbamoylamino)-4-oxo-1H-indeno[1,2-c]pyrazol-3-yl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxo-pentanoic acid CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-[2-[2-[2-[2-[[2-[4-[5-[[(4-morpholinylamino)-oxomethyl]amino]-4-oxo-1H-indeno[1,2-c]pyrazol-3-yl]phenoxy]-1-oxoethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[1,2-c]pyrazol-3-yl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid Traditional Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-keto-5-[2-[2-[2-[2-[[2-[4-[4-keto-5-(morpholinocarbamoylamino)-1H-indeno[1,2-c]pyrazol-3-yl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]valeric acid Formula: C51H59N15O12 MolecularWeight: 1074.10746

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCCOCCOCCOCCNC(=O)COC4=CC=C(C=C4)C5=NNC6=C5C(=O)C7=C6C=CC=C7NC(=O)NN8CCOCC8)C(=O)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCCOCCOCCOCCNC(=O)COC4=CC=C(C=C4)C5=NNC6=C5C(=O)C7=C6C=CC=C7NC(=O)NN8CCOCC8)C(=O)O

InChI

InChI=1S/C51H59N15O12/c1-65(28-32-27-56-47-44(57-32)46(52)60-50(53)61-47)33-9-5-31(6-10-33)48(70)58-37(49(71)72)13-14-38(67)54-15-19-74-23-25-77-26-24-75-20-16-55-39(68)29-78-34-11-7-30(8-12-34)42-41-43(63-62-42)35-3-2-4-36(40(35)45(41)69)59-51(73)64-66-17-21-76-22-18-66/h2-12,27,37H,13-26,28-29H2,1H3,(H,54,67)(H,55,68)(H,58,70)(H,62,63)(H,71,72)(H2,59,64,73)(H4,52,53,56,60,61)