E3P

N~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-L-alpha-glutamine

Created:	2011-09-30
Last modified:	2011-09-30

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1 entries where E3P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	1
Bond Count	60
Aromatic Bond Count	18

2D diagram of E3P

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Chemical Component Summary
Name	N~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-L-alpha-glutamine
Systematic Name (OpenEye OEToolkits)	(4S)-5-azanyl-5-oxidanylidene-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]pentanoic acid
Formula	C₂₆ H₂₆ N₂ O₄
Molecular Weight	430.496
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCC(C(=O)N)NC(=O)CCc1ccc(cc1)c3ccc(c2ccccc2)cc3
SMILES	CACTVS	3.370	NC(=O)[CH](CCC(O)=O)NC(=O)CCc1ccc(cc1)c2ccc(cc2)c3ccccc3
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)NC(CCC(=O)O)C(=O)N
Canonical SMILES	CACTVS	3.370	NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)c2ccc(cc2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N
InChI	InChI	1.03	InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
InChIKey	InChI	1.03	KNOYHJOPRUTPSQ-QHCPKHFHSA-N

Related Resource References

Resource Name	Reference
PubChem	57336493

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