N-(4-{[(2,4-Diamino-5-Chloro-6-Quinazolinyl)Methyl]Amino}Benzoyl)-L-Aspartic Acid

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Properties Simple | Detailed

Formula C20H19ClN6O5
IUPAC Name (2s)-2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
Molecular Mass 458.855 g·mol−1
Heat of Formation -681.6 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 496.68 Å 3
Surface Area 429.54 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
  • (2s)-2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]succinic acid
  • (2s)-2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]phenyl]carbonylamino]butanedioic acid
  • (2s)-2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-5-chloro-6-quinazolinyl)methylamino]phenyl]-oxomethyl]amino]butanedioic acid
  • aspartic acid, n-(p-(((2,4-diamino-5-chloro-6-quinazolinyl)methyl)amino)benzoyl)
  • aspartic acid, n-(p-(((2,4-diamino-5-chloro-6-quinazolinyl)methyl)amino)benzoyl)-, l-
  • ccnsc 529,861
  • chlorasquin
  • l-aspartic acid, n-(4-(((2,4-diamino-5-chloro-6-quinazolinyl)methyl)amino)benzoyl)- (9ci)
  • n-(p-(((2,4-diamino-5-chloro-6-quinazolinyl)methyl) amino)benzoyl)-l-aspartic acid dihydrate
  • n-(p-(((2,4-diamino-5-chloro-6-quinazolinyl)methyl)amino)benzoyl)-l-aspartic acid
  • sk 29861
CAS Number(s)
  • 18921-73-8
InChIKey GWIBVUFMBFNYLT-ZDUSSCGKSA-N
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