U29

methyl (5S)-1-acetyl-5-methyl-L-prolinate

Created:	2023-08-29
Last modified:	2023-11-29

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1 entries where U29 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	2
Bond Count	28
Aromatic Bond Count	0

2D diagram of U29

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Chemical Component Summary
Name	methyl (5S)-1-acetyl-5-methyl-L-prolinate
Systematic Name (OpenEye OEToolkits)	methyl (2~{S},5~{S})-1-ethanoyl-5-methyl-pyrrolidine-2-carboxylate
Formula	C₉ H₁₅ N O₃
Molecular Weight	185.22
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC1CCC(C(=O)OC)N1C(=O)C
SMILES	CACTVS	3.385	COC(=O)[CH]1CC[CH](C)N1C(C)=O
SMILES	OpenEye OEToolkits	2.0.7	CC1CCC(N1C(=O)C)C(=O)OC
Canonical SMILES	CACTVS	3.385	COC(=O)[C@@H]1CC[C@H](C)N1C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]1CC[C@H](N1C(=O)C)C(=O)OC
InChI	InChI	1.06	InChI=1S/C9H15NO3/c1-6-4-5-8(9(12)13-3)10(6)7(2)11/h6,8H,4-5H2,1-3H3/t6-,8-/m0/s1
InChIKey	InChI	1.06	OZKGZCZMUGXZPD-XPUUQOCRSA-N

Related Resource References

Resource Name	Reference
PubChem	169447953

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