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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid , (2S)-2-[[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid , (2S)-2-[[4-[[(6S)-2-azanyl-5-methyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid , (2S)-2-[[4-[[(6S)-2-amino-4-keto-5-methyl-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
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| Smiles: |
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NC[C@H]1CNc2c(N1C)c(=O)nc([nH]2)N
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| InChi : |
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
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| InChi Key : |
InChIKey=ZNOVTXRBGFNYRX-STQMWFEESA-N
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| PubChem ID : |
444412
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| Rotatable bond count : |
10
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
13
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Ionization potential : |
8.147538
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| Hydrogen bond donor count : |
7
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Electric dipole moment : |
10.913
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| XLogP : |
-2.254
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VDW volume : |
412.497328
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| Molecular weight : |
459.186632
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HOMO-LUMO gap : |
7.798000
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| Herb list : |
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| Refrences & Litretures: |
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