V7K

(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Created:2021-04-23
Last modified:  2022-04-20

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count2
Bond Count51
Aromatic Bond Count10
2D diagram of V7K
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Chemical Component Summary

Name(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
FormulaC16 H18 N6 O9 S
Molecular Weight470.414
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[CH](CCC(=O)N[CH](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
SMILESOpenEye OEToolkits2.0.7c1cc(c2c(c1[N+](=O)[O-])non2)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Canonical SMILESCACTVS3.385 N[C@@H](CCC(=O)N[C@@H](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(c2c(c1[N+](=O)[O-])non2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C16H18N6O9S/c17-7(16(27)28)1-4-11(23)19-8(15(26)18-5-12(24)25)6-32-10-3-2-9(22(29)30)13-14(10)21-31-20-13/h2-3,7-8H,1,4-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-/m0/s1
InChIKeyInChI1.03 DLEOMDYTCAPLNH-YUMQZZPRSA-N

Related Resource References

Resource NameReference
PubChem 21155649