2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-[(Z,7R)-18-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-18-oxidanylidene-octadec-9-en-7-yl]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-[(Z,7R)-18-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-18-oxidanylidene-octadec-9-en-7-yl]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[(Z,1R)-12-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-1-hexyl-12-oxo-dodec-3-enoxy]-5-oxo-pentanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-[(Z,7R)-18-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-18-oxooctadec-9-en-7-yl]oxy-5-oxopentanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[(Z,7R)-18-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-18-oxooctadec-9-en-7-yl]oxy-5-oxopentanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[(Z,1R)-12-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy]-1-hexyl-12-keto-dodec-3-enoxy]-5-keto-valeric acid Formula: C45H60N12O10 MolecularWeight: 929.0323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)OC(=O)CCC(C(=O)O)NC(=O)C3=CC=C(C=C3)NCC4=CN=C5C(=N4)C(=O)N=C(N5)N

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)OC(=O)CCC(C(=O)O)NC(=O)C3=CC=C(C=C3)NCC4=CN=C5C(=N4)C(=O)N=C(N5)N

InChI

InChI=1S/C45H60N12O10/c1-2-3-4-11-14-32(15-12-9-7-5-6-8-10-13-16-34(58)66-24-23-65-28-57-27-50-37-39(57)54-45(47)56-42(37)62)67-35(59)22-21-33(43(63)64)52-40(60)29-17-19-30(20-18-29)48-25-31-26-49-38-36(51-31)41(61)55-44(46)53-38/h9,12,17-20,26-27,32-33,48H,2-8,10-11,13-16,21-25,28H2,1H3,(H,52,60)(H,63,64)(H3,47,54,56,62)(H3,46,49,53,55,61)/b12-9-/t32-,33?/m1/s1