NZV

ceftriaxone, bound form

Created:	2019-05-30
Last modified:	2024-09-27

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1 entries where NZV is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	2
Bond Count	59
Aromatic Bond Count	5

2D diagram of NZV

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Chemical Component Summary
Name	ceftriaxone, bound form
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-[[2-methyl-5,6-bis(oxidanylidene)-1~{H}-1,2,4-triazin-3-yl]sulfanylmethyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
Formula	C₁₈ H₂₀ N₈ O₈ S₃
Molecular Weight	572.595
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(/C(c1csc(N)n1)=N\OC)NC(C(O)=O)C2SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C
SMILES	CACTVS	3.385	CON=C(C(=O)N[CH]([CH]1NC(=C(CS1)CSC2=NC(=O)C(=O)NN2C)C(O)=O)C(O)=O)c3csc(N)n3
SMILES	OpenEye OEToolkits	2.0.7	CN1C(=NC(=O)C(=O)N1)SCC2=C(NC(SC2)C(C(=O)O)NC(=O)C(=NOC)c3csc(n3)N)C(=O)O
Canonical SMILES	CACTVS	3.385	CO\N=C(/C(=O)N[C@@H]([C@@H]1NC(=C(CS1)CSC2=NC(=O)C(=O)NN2C)C(O)=O)C(O)=O)c3csc(N)n3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C18H20N8O8S3/c1-26-18(23-12(28)13(29)24-26)37-4-6-3-35-14(22-8(6)15(30)31)10(16(32)33)21-11(27)9(25-34-2)7-5-36-17(19)20-7/h5,10,14,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,24,29)(H,30,31)(H,32,33)/b25-9-/t10-,14+/m0/s1
InChIKey	InChI	1.03	DQDUICUGMZVNPK-KQSJCSLWSA-N

Related Resource References

Resource Name	Reference
PubChem	138756801

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