X7V

N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide

Created:2020-12-03
Last modified:  2020-12-16

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Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count2
Bond Count69
Aromatic Bond Count29
2D diagram of X7V

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Chemical Component Summary

NameN-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(1~{R})-2-oxidanylidene-2-[[(1~{S})-1-phenylethyl]amino]-1-pyridin-3-yl-ethyl]-~{N}-(4-phenylphenyl)furan-2-carboxamide
FormulaC32 H27 N3 O3
Molecular Weight501.575
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5
SMILESCACTVS3.385C[CH](NC(=O)[CH](N(C(=O)c1occc1)c2ccc(cc2)c3ccccc3)c4cccnc4)c5ccccc5
SMILESOpenEye OEToolkits2.0.7CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5
Canonical SMILESCACTVS3.385 C[C@H](NC(=O)[C@H](N(C(=O)c1occc1)c2ccc(cc2)c3ccccc3)c4cccnc4)c5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5
InChIInChI1.03 InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1
InChIKeyInChI1.03 RYGJIKURQDMMQZ-YUDQIZAISA-N

Related Resource References

Resource NameReference
PubChem 155289416