A1JNP

[(2~{S},3~{S})-3-[[(2~{Z})-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid

Created:2025-08-22
Last modified:  2026-02-18

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count2
Bond Count40
Aromatic Bond Count5
2D diagram of A1JNP
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Chemical Component Summary

Name[(2~{S},3~{S})-3-[[(2~{Z})-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid
Systematic Name (OpenEye OEToolkits)[(2~{S},3~{S})-3-[[(2~{Z})-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid
FormulaC10 H16 N6 O6 S2
Molecular Weight380.401
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCON=C(C(=O)N[CH](C=O)[CH](C)N[S](O)(=O)=O)c1nsc(N)n1
SMILESOpenEye OEToolkits2.0.7CCON=C(c1nc(sn1)N)C(=O)NC(C=O)C(C)NS(=O)(=O)O
Canonical SMILESCACTVS3.385 CCO\N=C(/C(=O)N[C@H](C=O)[C@H](C)N[S](O)(=O)=O)c1nsc(N)n1
Canonical SMILESOpenEye OEToolkits2.0.7 CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H](C=O)[C@H](C)NS(=O)(=O)O
InChIInChI1.06 InChI=1S/C10H16N6O6S2/c1-3-22-14-7(8-13-10(11)23-15-8)9(18)12-6(4-17)5(2)16-24(19,20)21/h4-6,16H,3H2,1-2H3,(H,12,18)(H2,11,13,15)(H,19,20,21)/b14-7-/t5-,6+/m0/s1
InChIKeyInChI1.06 YJODLKIDYNCMJI-SVWSLXTCSA-N