E2G

(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide

Created:	2017-11-27
Last modified:	2024-09-27

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1 entries where E2G is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	11

2D diagram of E2G

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Chemical Component Summary
Name	(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[[4-[2-(acetamidomethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-2-azanyl-2-oxidanyl-ethanamide
Formula	C₁₅ H₂₀ N₆ O₃
Molecular Weight	332.358
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(NC(C(N)O)=O)c1nnc(C)n1c2c(cccc2)CNC(C)=O
SMILES	CACTVS	3.385	CC(=O)NCc1ccccc1n2c(C)nnc2CNC(=O)[CH](N)O
SMILES	OpenEye OEToolkits	2.0.6	Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O
Canonical SMILES	CACTVS	3.385	CC(=O)NCc1ccccc1n2c(C)nnc2CNC(=O)[C@H](N)O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O
InChI	InChI	1.03	InChI=1S/C15H20N6O3/c1-9-19-20-13(8-18-15(24)14(16)23)21(9)12-6-4-3-5-11(12)7-17-10(2)22/h3-6,14,23H,7-8,16H2,1-2H3,(H,17,22)(H,18,24)/t14-/m1/s1
InChIKey	InChI	1.03	PQGQFFWWFJTNFO-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	138753172

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