None
AlkaPlorer ID: AK318650
Synonym: None
IUPAC Name: (2S)-2-amino-6-[4-[(4S)-4-amino-4-carboxybutyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridin-1-ium-1-yl]hexanoic acid
Structure
SMILES: N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O
InChI: InChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17-,18-,19-,20-/m0/s1
InChIKey: VEVRNHHLCPGNDU-MUGJNUQGSA-O
Source
Properties Information
Molecule Weight: 526.6110000000004
TPSA？: 257.16
MolLogP？: -1.0200999999999925
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Clostridium botulinum | Botulinum neurotoxin type A | Inhibition | 25.0 | % | 10.1021/jm301829h |