Chem
J-GLOBAL ID：200907083040158173   Nikkaji number：J373.917A

PT-523

PT-523
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H27N9O6
Molecular formula furigana： C27-H27-N9-O6
Molecular weight： 573.570
InChI： InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1
InChI key： NYQPLPNEESYGNO-IBGZPJMESA-N
SMILES： Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCCNC(=O)c3ccccc3C(=O)O)C(=O)O)cnc2n1
Systematic name  (3)：
  • (S)-2-[4-[(2,4-ジアミノプテリジン-6-イル)メチルアミノ]ベンゾイルアミノ]-5-(2-カルボキシベンゾイルアミノ)吉草酸
  • 2-{[(4S)-4-カルボキシ-4-[(4-{[(2,4-ジアミノプテリジン-6-イル)メチル]アミノ}フェニル)ホルムアミド]ブチル]カルバモイル}安息香酸
  • 2-{[(4S)-4-carboxy-4-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)formamido]butyl]carbamoyl}benzoic acid
Other name (2)：
  • (S)-2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoylamino]-5-(2-carboxybenzoylamino)valeric acid
  • PT-523
CAS registry number： 113857-87-7
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