XVE

PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE

Created:	2010-11-18
Last modified:	2011-06-04

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1 entries where XVE is found as a standalone ligand1 entries where XVE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	12

2D diagram of XVE

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Chemical Component Summary
Name	PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
Systematic Name (OpenEye OEToolkits)	phenylmethyl N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate
Formula	C₁₈ H₁₈ Cl N O₃
Molecular Weight	331.793
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	ClCC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2
SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)CC(C(=O)CCl)NC(=O)OCc2ccccc2
Canonical SMILES	CACTVS	3.352	ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2
InChI	InChI	1.03	InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
InChIKey	InChI	1.03	OYHLRJGDELITAF-INIZCTEOSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL303579
PubChem	99625
ChEMBL	CHEMBL303579

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