(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 5
PubChem 155289323
Molecular Formula

C17H23N5O10S

SMILES

C1=C(C=C2C(=C1N)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO

InChI

InChI=1S/C17H23N5O10S/c18-8-1-7(4-23)2-10-13(8)22(6-20-10)17-15(27)14(26)11(32-17)5-31-33(29,30)21-16(28)9(19)3-12(24)25/h1-2,6,9,11,14-15,17,23,26-27H,3-5,18-19H2,(H,21,28)(H,24,25)/t9-,11+,14+,15+,17+/m0/s1

synonyms
  • (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid
  • RSN
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Properties
Property Value
MW 489.5 g/mol
HBD 7
HBA 13
Rotatable Bond Count 9
Exact Mass 489.11656312 g/mol
Monoisotopic Mass 489.11656312 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 826
xlogp -6.3
Topological Polar Surface Area 258