23P

3-(propanoylamino)-L-alanine

Created:	2012-12-12
Last modified:	2024-09-27

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2 entries where 23P is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

2D diagram of 23P

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Chemical Component Summary
Name	3-(propanoylamino)-L-alanine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-(propanoylamino)propanoic acid
Formula	C₆ H₁₂ N₂ O₃
Molecular Weight	160.171
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCC(N)C(=O)O)CC
SMILES	CACTVS	3.370	CCC(=O)NC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCC(=O)NCC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	CCC(=O)NC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCC(=O)NC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey	InChI	1.03	NTSNWEHPHPMOGR-BYPYZUCNSA-N

Related Resource References

Resource Name	Reference
PubChem	10725648

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