Chemical Components in the PDB

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CAZ : Summary

Code

CAZ

One-letter code

X

Molecule name

ACYLATED CEFTAZIDIME

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2-[(1R)-1-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl}amino)-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
OpenEye OEToolkits 1.5.0 (2R)-2-[(1R)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxo-propan-2-yl)oxyimino-ethanoyl]amino]-2-oxo-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid

Formula

C17 H19 N5 O7 S2

Formal charge

0

Molecular weight

469.492 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(O\N=C(/C(=O)NC(C=O)C1N=C(\C(=C)CS1)C(=O)O)c2nc(sc2)N)(C)C
SMILES CACTVS 3.341 CC(C)(ON=C(C(=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O
Canonical SMILES CACTVS 3.341 CC(C)(O\N=C(/C(=O)N[C@H](C=O)[C@H]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O

IUPAC InChI

InChI=1S/C17H19N5O7S2/c1-7-5-30-13(21-10(7)14(25)26)8(4-23)19-12(24)11(9-6-31-16(18)20-9)22-29-17(2,3)15(27)28/h4,6,8,13H,1,5H2,2-3H3,(H2,18,20)(H,19,24)(H,25,26)(H,27,28)/b22-11-/t8-,13-/m1/s1

IUPAC InChI key

VEHPZKIFULQYFS-BZXVCXBKSA-N
CAZ

wwPDB Information

Atom count

50 (31 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-04-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned