88D

N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide

Created:	2017-01-11
Last modified:	2017-04-12

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	17

2D diagram of 88D

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Chemical Component Summary
Name	N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{R})-1-[(2-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]selenophene-2-carboxamide
Formula	C₂₁ H₂₀ N₂ O₂ Se
Molecular Weight	411.356
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3[se]ccc3
SMILES	CACTVS	3.385	Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3[se]ccc3
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccc[se]3
Canonical SMILES	CACTVS	3.385	Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3[se]ccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3
InChI	InChI	1.03	InChI=1S/C21H20N2O2Se/c1-15-8-5-6-11-17(15)22-20(24)18(14-16-9-3-2-4-10-16)23-21(25)19-12-7-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKey	InChI	1.03	AGKDXQQYJWMFAB-GOSISDBHSA-N

Related Resource References

Resource Name	Reference
PubChem	126476624

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