N6L

D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide

Created:	2014-12-12
Last modified:	2015-08-26

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1 entries where N6L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	2
Bond Count	53
Aromatic Bond Count	12

2D diagram of N6L

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Chemical Component Summary
Name	D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide
Systematic Name (OpenEye OEToolkits)	(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[[2,5-bis(chloranyl)phenyl]methyl]pyrrolidine-2-carboxamide
Formula	C₂₁ H₂₃ Cl₂ N₃ O₂
Molecular Weight	420.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCc1cc(Cl)ccc1Cl)C3N(C(=O)C(N)Cc2ccccc2)CCC3
SMILES	CACTVS	3.385	N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(Cl)ccc3Cl
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cc(ccc3Cl)Cl)N
Canonical SMILES	CACTVS	3.385	N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(Cl)ccc3Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N
InChI	InChI	1.03	InChI=1S/C21H23Cl2N3O2/c22-16-8-9-17(23)15(12-16)13-25-20(27)19-7-4-10-26(19)21(28)18(24)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12,18-19H,4,7,10-11,13,24H2,(H,25,27)/t18-,19+/m1/s1
InChIKey	InChI	1.03	XSOBNETYEYXSCD-MOPGFXCFSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2152433
PubChem	71449446
ChEMBL	CHEMBL2152433

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