D0L

(2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Created:	2019-05-29
Last modified:	2020-03-18

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6 entries where D0L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	2
Bond Count	59
Aromatic Bond Count	6

2D diagram of D0L

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Chemical Component Summary
Name	(2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-[[(2~{S})-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
Formula	C₂₁ H₃₂ N₂ O₃
Molecular Weight	360.49
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCN1CCC[CH]1C(=O)N[CH](Cc2ccccc2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCN1CCCC1C(=O)NC(Cc2ccccc2)C(=O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C21H32N2O3/c1-2-3-4-5-9-14-23-15-10-13-19(23)20(24)22-18(21(25)26)16-17-11-7-6-8-12-17/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3,(H,22,24)(H,25,26)/t18-,19-/m0/s1
InChIKey	InChI	1.03	UZXMNGCHFSENBI-OALUTQOASA-N

Related Resource References

Resource Name	Reference
PubChem	134958427

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.