1RZ

Lamivudine Triphosphate

Created:	2013-05-14
Last modified:	2020-06-05

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8 entries where 1RZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	2
Bond Count	42
Aromatic Bond Count	0

2D diagram of 1RZ

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Chemical Component Summary
Name	Lamivudine Triphosphate
Synonyms	Lamivudine-5'-triphosphate; 3TC Triphosphate; [[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula	C₈ H₁₄ N₃ O₁₂ P₃ S
Molecular Weight	469.196
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
SMILES	OpenEye OEToolkits	1.7.6	C1C(OC(S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
Canonical SMILES	CACTVS	3.385	NC1=NC(=O)N(C=C1)[C@@H]2CS[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
InChI	InChI	1.03	InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1
InChIKey	InChI	1.03	YLEQMGZZMCJKCN-NKWVEPMBSA-N

Related Resource References

Resource Name	Reference
PubChem	454110
ChEMBL	CHEMBL1230

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