OVH

[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

Created: 2020-04-06
Last modified:  2020-12-02

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Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count5
Bond Count73
Aromatic Bond Count11
2D diagram of OVH
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Chemical Component Summary

Name[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Systematic Name (OpenEye OEToolkits)[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
FormulaC23 H35 N5 O7 S
Molecular Weight525.618
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(nn2)c3ccccc3)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.7CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2cc(nn2)c3ccccc3)O)O)N
Canonical SMILESCACTVS3.385 CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(nn2)c3ccccc3)[C@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3)O)O)N
InChIInChI1.03 InChI=1S/C23H35N5O7S/c1-15(2)11-18(24)23(31)26-36(32,33)35-14-20-22(30)21(29)17(13-34-20)9-6-10-28-12-19(25-27-28)16-7-4-3-5-8-16/h3-5,7-8,12,15,17-18,20-22,29-30H,6,9-11,13-14,24H2,1-2H3,(H,26,31)/t17-,18+,20-,21+,22-/m1/s1
InChIKeyInChI1.03 GZWHBJQJDPZTNY-WQIFRTTPSA-N

Related Resource References

Resource NameReference
PubChem 155289288