ZO7

N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine

Created:	2021-05-14
Last modified:	2021-06-09

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1 entries where ZO7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	4
Bond Count	65
Aromatic Bond Count	12

2D diagram of ZO7

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Chemical Component Summary
Name	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine
Systematic Name (OpenEye OEToolkits)	1-[4-chloranyl-3-[[(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]amino]phenyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
Formula	C₂₄ H₃₀ Cl N₃ O₅
Molecular Weight	475.965
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2OCC(O)C(O)C2O)c(Cl)cc1
SMILES	CACTVS	3.385	CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3OC[CH](O)[CH](O)[CH]3O)c2
SMILES	OpenEye OEToolkits	2.0.7	CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(CO3)O)O)O)Cl
Canonical SMILES	CACTVS	3.385	CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl
InChI	InChI	1.03	InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(29)12-33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21+,22-/m1/s1
InChIKey	InChI	1.03	AFRUCARRYXUVSH-YUMYIRISSA-N

Related Resource References

Resource Name	Reference
PubChem	155921309

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.