41H

(betaS)-beta-methyl-L-phenylalanine

Created:	2015-01-09
Last modified:	2024-09-27

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2 entries where 41H is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	2
Bond Count	26
Aromatic Bond Count	6

2D diagram of 41H

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Chemical Component Summary
Name	(betaS)-beta-methyl-L-phenylalanine
Systematic Name (OpenEye OEToolkits)	(2S,3S)-2-azanyl-3-phenyl-butanoic acid
Formula	C₁₀ H₁₃ N O₂
Molecular Weight	179.216
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)C(c1ccccc1)C
SMILES	CACTVS	3.385	C[CH]([CH](N)C(O)=O)c1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	CC(c1ccccc1)C(C(=O)O)N
Canonical SMILES	CACTVS	3.385	C[C@H]([C@H](N)C(O)=O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H](c1ccccc1)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1
InChIKey	InChI	1.03	IRZQDMYEJPNDEN-CBAPKCEASA-N

Related Resource References

Resource Name	Reference
PubChem	6951458, 854352
ChEBI	CHEBI:77031, CHEBI:76864

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