Name: Pteroylhexaglutamylglutamic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212719000
Cas No:6484-74-8
常用名:Pteroylhexaglutamylglutamic acid
常用名:Pteroylhexaglutamylglutamic acid
别名:Pteroylglutamyl-gamma-hexaglutamate
IUPAC:(2S)-2-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
IUPAC:(2S)-2-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
InChI key:WDDAVTBNEYJVJP-FLMSMKGQSA-N

分子式:C49H61N13O24
分子量:1216.094
氢键供体数 (HBD):18
氢键受体数 (HBA):30
LogP:-5.7317467
SMILES:Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=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)C(O)=O)C(O)=O)C(O)=O)cnc2[nH]1
SMILES:Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=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)C(O)=O)C(O)=O)C(O)=O)cnc2[nH]1

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