Structure

InChI Key GXFAIFRPOKBQRV-GHXCTMGLSA-N
Smile NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O
InChI
InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H43N13O10
Molecular Weight 685.7
AlogP -8.88
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 15.0
Number of Rotational Bond 10.0
Polar Surface Area 392.86
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 48.0

Cross References

Resources Reference
ChEBI 15782
ChEMBL CHEMBL3085436
DrugBank DB06827
DrugCentral 2830
EPA CompTox DTXSID0023741
FDA SRS YVU35998K5
KEGG C01540
PubChem 3037981
SureChEMBL SCHEMBL34586
ZINC ZINC000049799668