EZG

N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-histidinamide

Created:	2018-02-16
Last modified:	2018-03-07

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1 entries where EZG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	3
Bond Count	45
Aromatic Bond Count	11

2D diagram of EZG

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Chemical Component Summary
Name	N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-histidinamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(1~{H}-imidazol-4-yl)-~{N}-[(1~{R},2~{R})-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide
Formula	C₁₅ H₁₉ N₅ O₅
Molecular Weight	349.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(CC(N)C(NC(C(c1ccc([N+]([O-])=O)cc1)O)CO)=O)ncnc2
SMILES	CACTVS	3.385	N[CH](Cc1c[nH]cn1)C(=O)N[CH](CO)[CH](O)c2ccc(cc2)[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1C(C(CO)NC(=O)C(Cc2c[nH]cn2)N)O)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)[C@H](O)c2ccc(cc2)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C15H19N5O5/c16-12(5-10-6-17-8-18-10)15(23)19-13(7-21)14(22)9-1-3-11(4-2-9)20(24)25/h1-4,6,8,12-14,21-22H,5,7,16H2,(H,17,18)(H,19,23)/t12-,13+,14+/m0/s1
InChIKey	InChI	1.03	MMDMFLDVXHCRMV-BFHYXJOUSA-N

Related Resource References

Resource Name	Reference
PubChem	137349297

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.