85J

N-propyl-L-glutamine

Created:	2017-01-05
Last modified:	2024-09-27

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1 entries where 85J is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	0

2D diagram of 85J

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Chemical Component Summary
Name	N-propyl-L-glutamine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-5-oxidanylidene-5-(propylamino)pentanoic acid
Formula	C₈ H₁₆ N₂ O₃
Molecular Weight	188.224
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(CCC(NCCC)=O)C(O)=O
SMILES	CACTVS	3.385	CCCNC(=O)CC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCCNC(=O)CCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	CCCNC(=O)CC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCNC(=O)CC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H16N2O3/c1-2-5-10-7(11)4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey	InChI	1.03	PFRXQAMOMSLGRY-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	11975644

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