U3V

(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide

Created: 2020-04-15
Last modified:  2020-07-01

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Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count2
Bond Count74
Aromatic Bond Count5
2D diagram of U3V
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Chemical Component Summary

Name(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
Systematic Name (OpenEye OEToolkits)(2~{S})-~{N}-[(2~{S})-3-[1-(5-~{tert}-butyl-2-methyl-pyrazol-3-yl)carbonylpiperidin-4-yl]-1-(methylamino)-1-oxidanylidene-propan-2-yl]-6-oxidanylidene-piperidine-2-carboxamide
FormulaC24 H38 N6 O4
Molecular Weight474.596
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1c(n(C)nc1C(C)(C)C)C(=O)N2CCC(CC2)CC(C(NC)=O)NC(C3CCCC(N3)=O)=O
SMILESCACTVS3.385CNC(=O)[CH](CC1CCN(CC1)C(=O)c2cc(nn2C)C(C)(C)C)NC(=O)[CH]3CCCC(=O)N3
SMILESOpenEye OEToolkits2.0.7CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)CC(C(=O)NC)NC(=O)C3CCCC(=O)N3
Canonical SMILESCACTVS3.385 CNC(=O)[C@H](CC1CCN(CC1)C(=O)c2cc(nn2C)C(C)(C)C)NC(=O)[C@@H]3CCCC(=O)N3
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3
InChIInChI1.03 InChI=1S/C24H38N6O4/c1-24(2,3)19-14-18(29(5)28-19)23(34)30-11-9-15(10-12-30)13-17(21(32)25-4)27-22(33)16-7-6-8-20(31)26-16/h14-17H,6-13H2,1-5H3,(H,25,32)(H,26,31)(H,27,33)/t16-,17-/m0/s1
InChIKeyInChI1.03 SLKUTPSFHQUWLD-IRXDYDNUSA-N

Related Resource References

Resource NameReference
PubChem 146672995