A1I9G

3(S)-methyl-histidine

Created:	2025-04-03
Last modified:	2025-07-16

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1 entries where A1I9G is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	2
Bond Count	23
Aromatic Bond Count	5

2D diagram of A1I9G

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Chemical Component Summary
Name	3(S)-methyl-histidine
Synonyms	(2~{S},3~{R})-2-azanyl-3-(1~{H}-imidazol-5-yl)butanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{R})-2-azanyl-3-(1~{H}-imidazol-5-yl)butanoic acid
Formula	C₇ H₁₁ N₃ O₂
Molecular Weight	169.181
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]([CH](N)C(O)=O)c1[nH]cnc1
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cnc[nH]1)C(C(=O)O)N
Canonical SMILES	CACTVS	3.385	C[C@H]([C@H](N)C(O)=O)c1[nH]cnc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](c1cnc[nH]1)[C@@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C7H11N3O2/c1-4(6(8)7(11)12)5-2-9-3-10-5/h2-4,6H,8H2,1H3,(H,9,10)(H,11,12)/t4-,6-/m0/s1
InChIKey	InChI	1.06	BBRKPOSUKSXFJU-NJGYIYPDSA-N

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