I6Z

~{N}-[(2~{S})-4-cyclopropyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

Created:2022-06-10
Last modified:  2023-03-29

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count1
Bond Count65
Aromatic Bond Count11
2D diagram of I6Z
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Chemical Component Summary

Name~{N}-[(2~{S})-4-cyclopropyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(2~{S})-4-cyclopropyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
FormulaC25 H31 N3 O3
Molecular Weight421.532
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[CH](CCC3CC3)C(=O)Nc4ccccc4
SMILESOpenEye OEToolkits2.0.7Cc1c2c([nH]c1C(=O)NC(CCC3CC3)C(=O)Nc4ccccc4)CC(CC2=O)(C)C
Canonical SMILESCACTVS3.385 Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[C@@H](CCC3CC3)C(=O)Nc4ccccc4
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c2c([nH]c1C(=O)N[C@@H](CCC3CC3)C(=O)Nc4ccccc4)CC(CC2=O)(C)C
InChIInChI1.03 InChI=1S/C25H31N3O3/c1-15-21-19(13-25(2,3)14-20(21)29)27-22(15)24(31)28-18(12-11-16-9-10-16)23(30)26-17-7-5-4-6-8-17/h4-8,16,18,27H,9-14H2,1-3H3,(H,26,30)(H,28,31)/t18-/m0/s1
InChIKeyInChI1.03 FSDGOJSCOXFEFN-SFHVURJKSA-N

Related Resource References

Resource NameReference
PubChem 167530312