5ZP

(3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide

Created:2021-09-07
Last modified:  2022-02-16

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Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count2
Bond Count76
Aromatic Bond Count26
2D diagram of 5ZP
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Chemical Component Summary

Name(3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide
Systematic Name (OpenEye OEToolkits)(3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide
FormulaC31 H33 N5 O2
Molecular Weight507.626
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)[CH](CC(=O)N[CH](C)c1ccccc1)c2oc(nn2)c3cc4c([nH]c5c(cccc45)C6CC6)nc3C
SMILESOpenEye OEToolkits2.0.7Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)C(CC(=O)NC(C)c6ccccc6)C(C)C
Canonical SMILESCACTVS3.385 CC(C)[C@H](CC(=O)N[C@H](C)c1ccccc1)c2oc(nn2)c3cc4c([nH]c5c(cccc45)C6CC6)nc3C
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C
InChIInChI1.03 InChI=1S/C31H33N5O2/c1-17(2)24(16-27(37)32-18(3)20-9-6-5-7-10-20)30-35-36-31(38-30)25-15-26-23-12-8-11-22(21-13-14-21)28(23)34-29(26)33-19(25)4/h5-12,15,17-18,21,24H,13-14,16H2,1-4H3,(H,32,37)(H,33,34)/t18-,24+/m1/s1
InChIKeyInChI1.03 PHZKSLPIUQGPAT-KOSHJBKYSA-N

Related Resource References

Resource NameReference
PubChem 162624763