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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate , (2S)-2-[[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioate , (2S)-2-[[4-[[(6S)-2-azanyl-5-methanoyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioate , (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutarate
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| Smiles: |
O=CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@H](C(=O)[O-])CCC(=O)[O-])CNc2c1c(=O)nc([nH]2)N
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| InChi : |
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/p-2/t12-,13-/m0/s1
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| InChi Key : |
InChIKey=VVIAGPKUTFNRDU-STQMWFEESA-L
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| PubChem ID : |
6560146
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| Rotatable bond count : |
11
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
14
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Ionization potential : |
1.562899
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
69.425
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| XLogP : |
-4.385
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VDW volume : |
416.014638
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| Molecular weight : |
471.150246
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HOMO-LUMO gap : |
3.676000
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| Herb list : |
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| Refrences & Litretures: |
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