LP0

(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid

Created: 2019-07-25
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count42
Aromatic Bond Count5
2D diagram of LP0
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Chemical Component Summary

Name(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
Systematic Name (OpenEye OEToolkits)2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[oxidanyl(phosphonooxy)boranyl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid
FormulaC10 H16 B N4 O9 P S
Molecular Weight410.105
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OP(O)(=O)OB(O)CNC(\C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O
SMILESCACTVS3.385CC(C)(ON=C(C(=O)NCB(O)O[P](O)(O)=O)c1csc(N)n1)C(O)=O
SMILESOpenEye OEToolkits2.0.7B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)OP(=O)(O)O
Canonical SMILESCACTVS3.385 CC(C)(O\N=C(/C(=O)NCB(O)O[P](O)(O)=O)c1csc(N)n1)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 B(CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6-
InChIKeyInChI1.03 NLJWLRKAKQZXHE-UUASQNMZSA-N

Related Resource References

Resource NameReference
PubChem 155804453