65165-92-6 ((2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid)

CAS号:
65165-92-6
英文名称:
2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
分子式:
C19H19N7O6
分子量:
441.397463083267

2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid(65165-92-6)名称与标识符

名称

英文别名:
Glutamic acid,N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-;DL-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-;pteroylmonoglutamic acid;Glutamic acid,N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]- (9CI);2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid;pteroylglu-tamic acid;BCP15305;FT-0626515;NCGC00142391-03;FT-0774559;FT-0668797;AKOS016368368;Folcidin;Vitamin B11;2-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)carbonylamino]pent anedioic acid;NCGC00161646-01;2-(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid;PteGlu;Vitamin M;Pteroyl-L-glutamic acid;2-(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)pentanedioicacid;CHEMBL277040;AKOS017259271;N-[4-[[(2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-l-glutamic acid;SY010866;N-(4-([(2-Amino-4-hydroxy-6-pteridinyl)methyl]amino)benzoyl)-L-glutamic acid #;AKOS024278945;l-Pteroylglutamic acid;PGA;65165-92-6;NCGC00142391-04;SR-01000319474-1;Dl-glutamic acid,N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-;AKOS000668649;SR-05000001792-1;Glutamic acid, N-[p-([(2-amino-4-hydroxy-6-pteridinyl)methyl]amino)benzoyl]-;SCHEMBL3877;L-Glutamic acid,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-;SR-01000319474;Glutamic acid,5-b)pyrazin-6-yl)methyl]amino]benzoyl]-, L;Liver Lactobacillus, casei factor;DTXSID60859036;Mission prenatal (Salt/Mix);N-(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoyl)glutamic acid;2-[[4-[(2-amino-4-hydroxypteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;UPCMLD-DP091:001;2-[(4-([(2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino)phenyl)formamido]pentanedioic acid;SR-01000469458-1;32108-06-8;(S)-2-(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid;SR-05000001792;NSC3073;AKOS001287554;SR-01000319474-2;FT-0600598;EN300-23870;CID 5317366;NCI60_002628;FT-0668796;SR-01000469458;WLN: T66 BN DN GN JNJ CZ EQ H1MR DVMYVQ2VQ;4-Pteridinol,3-dicarboxypropyl)carbamoyl)anilino)methyl)-;NCGC00094942-01;Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, (L)-;1207282-75-4;N-(4-{[(2-Amino-4-hydroxypteridin-6-yl)methyl]amino}benzoyl)-dl-glutamic acid;NCGC00094942-02;NCGC00186648-01;OVBPIULPVIDEAO-UHFFFAOYSA-N;UPCMLD-DP091;Foluite;Aspol;

标识符

MDL:
MFCD00066830
InChIKey:
OVBPIULPVIDEAO-UHFFFAOYSA-N
Inchi:
1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)
SMILES:
OC(C(CCC(=O)O)NC(C1C=CC(=CC=1)NCC1C=NC2=C(C(NC(N)=N2)=O)N=1)=O)=O

2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid(65165-92-6)物化性质

实验特性

  • PSA : 208.99

计算特性

  • 精确分子量 : 441.13987
  • 氢键供体数量 : 7
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 10
  • 同位素质量 : 441.13968135g/mol
  • 重原子数量 : 32
  • 复杂度 : 767
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1.1
  • 拓扑分子极性表面积 : 209Ų

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