PFG

10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID


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Chemical Component Summary

Name10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID
Identifiers(2R)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid
FormulaC39 H44 N8 O15
Molecular Weight864.811
TypeNON-POLYMER
Isomeric SMILESC#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C39H44N8O15/c1-2-17-47(19-20-3-8-24-23(18-20)34(54)46-39(40)45-24)22-6-4-21(5-7-22)33(53)44-28(38(61)62)11-15-31(50)42-26(36(57)58)9-13-29(48)41-25(35(55)56)10-14-30(49)43-27(37(59)60)12-16-32(51)52/h1,3-8,18,25-28H,9-17,19H2,(H,41,48)(H,42,50)(H,43,49)(H,44,53)(H,51,52)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H3,40,45,46,54)/t25-,26-,27?,28-/m0/s1
InChIKeySASAWWASHFSVQE-QGMKSFRFSA-N

Chemical Details

Formal Charge0
Atom Count106
Chiral Atom Count5
Bond Count108
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 137349878, 49867488