Neopolyoxin B
AlkaPlorer ID: AK101391
Synonym: None
IUPAC Name: 3-[(2R,3R,4S,5R)-5-[(S)-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1H-imidazole-5-carboxylic acid
Structure
SMILES: C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](N2C=C(C(=O)O)NC2=O)[C@H](O)[C@@H]1O)[C@H](O)C1=CC=C(O)C=N1
InChI: InChI=1S/C20H25N5O11/c1-6(12(27)8-3-2-7(26)4-22-8)10(21)16(30)24-11(19(33)34)15-13(28)14(29)17(36-15)25-5-9(18(31)32)23-20(25)35/h2-6,10-15,17,26-29H,21H2,1H3,(H,23,35)(H,24,30)(H,31,32)(H,33,34)/t6-,10-,11-,12-,13-,14+,15+,17+/m0/s1
InChIKey: BQPHOTQSNGGNOY-FRHJOYOBSA-N
Source
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Properties Information
Molecule Weight: 511.4440000000001
TPSA？: 270.54999999999995
MolLogP？: -3.139199999999997
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 3
Activities Information
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