(2S)-5-carbamimidamido-2-({[(2R,3S,4R,5R)-2,3,5-trihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl}amino)pentanoic acid
AlkaPlorer ID: AK073235
Synonym: None
IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[(2R,3S,4R,5R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methylamino]pentanoic acid
Structure
SMILES: N=C(N)NCCC[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(=O)O
InChI: InChI=1S/C18H34N4O12/c19-17(20)21-3-1-2-7(15(29)30)22-6-18(31)14(28)13(8(24)5-32-18)34-16-12(27)11(26)10(25)9(4-23)33-16/h7-14,16,22-28,31H,1-6H2,(H,29,30)(H4,19,20,21)/t7-,8+,9+,10+,11-,12+,13+,14-,16-,18+/m0/s1
InChIKey: NLEHZOMZLCBMKF-RLDQCEHYSA-N
Source
Properties Information
Molecule Weight: 498.48600000000016
TPSA？: 280.53
MolLogP？: -6.08182999999999
Number of H-Donors: 12
Number of H-Acceptors: 13
RingCount: 2
Activities Information
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