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PDB Info pages Status search Chemie search: 35418 results BIRD

A1LYU

A1LYU
Name:	4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one
Formula:	C25 H18 O4
SMILES:	CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23
InChi:	InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1
Definition date:	2024-03-05
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	4-methyl-8-[(~{S})-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one

A1LZP

A1LZP
Name:	Trans-Geranyl Bacteriopheophytin B
Formula:	C55 H72 N4 O6
SMILES:	COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C
InChi:	InChI=1S/C55H72N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,19,25,27-30,32,34-35,40,51,57,59H,14-18,20-24,26H2,1-12H3/b31-19+,33-25-,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t32-,34?,35?,40?,51-/m1/s1
Definition date:	2024-03-27
Last modified:	2024-05-17
Release date:	2024-05-22

A1LZQ

A1LZQ
Name:	Trans-Geranyl 8-vinyl-bacteriochlorophyll B
Formula:	C55 H70 Mg N4 O6
SMILES:	COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[CH](C)[CH]4C=C
InChi:	InChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
Definition date:	2024-03-27
Last modified:	2024-05-17
Release date:	2024-05-22

A1LZU

A1LZU
Name:	[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate
Formula:	C13 H21 O5 P
SMILES:	CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O
InChi:	InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)
Definition date:	2024-03-29
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate

30Y

30Y
Name:	(2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide
Formula:	C17 H11 Cl F3 N3 O S
SMILES:	Clc2ccccc2NC(=S)C(C#N)C(=O)Nc1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)/t12-/m1/s1
Definition date:	2014-05-16
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	(2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide

UEU

UEU
Name:	4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile
Formula:	C28 H27 F2 N3 O2
SMILES:	CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O)N4CC[CH](N)C4
InChi:	InChI=1S/C28H27F2N3O2/c1-28(2,35)14-17-3-7-23(26(30)11-17)22-8-6-19(27(34)33-10-9-21(32)16-33)12-24(22)18-4-5-20(15-31)25(29)13-18/h3-8,11-13,21,35H,9-10,14,16,32H2,1-2H3/t21-/m1/s1
Definition date:	2023-05-29
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile

UV6

UV6
Name:	~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
Formula:	C18 H25 N O8
SMILES:	C[CH]1C[CH](O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)ccc12
InChi:	InChI=1S/C18H25NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-4,6,8,13-18,20,22-24H,5,7H2,1-2H3,(H,19,21)/t8-,13-,14-,15-,16-,17-,18-/m1/s1
Definition date:	2023-06-22
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

UW0

UW0
Name:	[(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid
Formula:	C19 H24 N O5 P
SMILES:	ON(CCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O
InChi:	InChI=1S/C19H24NO5P/c21-19(20(22)15-7-10-16-8-3-1-4-9-16)14-13-18(26(23,24)25)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,22H,7,10,13-15H2,(H2,23,24,25)/t18-/m0/s1
Definition date:	2023-06-23
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	[(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid

A1H17

A1H17
Name:	5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane
Formula:	C16 H15 Cl2 N3 O4 S
SMILES:	CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23
InChi:	InChI=1S/C16H15Cl2N3O4S/c1-8-6-12(25-15(8)16(22)21(2)3)26(23,24)20-11-5-4-9(17)13-10(18)7-19-14(11)13/h4-7,19-20H,1-3H3
Definition date:	2024-01-15
Last modified:	2024-05-14
Release date:	2024-04-03
Identifier:	5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide

YFW

YFW
Name:	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine
Formula:	C13 H18 N2 O
SMILES:	CN(C)CCc1c[NH]c2ccc(cc21)OC
InChi:	InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
Definition date:	2023-01-27
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine

YGH

YGH
Name:	4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole
Formula:	C15 H19 F N2 O
SMILES:	COc1ccc2[NH]cc(CCN3CCCC3)c2c1F
InChi:	InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
Definition date:	2023-01-28
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole

YGO

YGO
Name:	(1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Formula:	C28 H38 N4 O4
SMILES:	CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1
InChi:	InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m1/s1
Definition date:	2023-06-14
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

YLX

YLX
Name:	Buspirone
Formula:	C21 H31 N5 O2
SMILES:	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
InChi:	InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
Synonyms:	Buspirone
Definition date:	2023-02-09
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione

KW0

KW0
Name:	(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid
Formula:	C26 H50 N O9 P
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COCC)O[P](O)(=O)OC[CH](N)C(O)=O
InChi:	InChI=1S/C26H50NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)34-21-23(20-33-4-2)36-37(31,32)35-22-24(27)26(29)30/h11-12,23-24H,3-10,13-22,27H2,1-2H3,(H,29,30)(H,31,32)/b12-11-/t23-,24+/m1/s1
Definition date:	2022-10-20
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid

W4I

W4I
Name:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate
Formula:	C53 H82 O15
SMILES:	CCC=CCC=CCC=CCC=CCCCCC(=O)O[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC
InChi:	InChI=1S/C53H82O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1
Definition date:	2023-04-27
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate

W4O

W4O
Name:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate
Formula:	C51 H80 O15
SMILES:	CCC=CCC=CCC=CCC=CCCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC
InChi:	InChI=1S/C51H80O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1
Definition date:	2023-04-27
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate

W6E

W6E
Name:	7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine
Formula:	C10 H8 N6
SMILES:	Nc1ncc2ccc(cc2n1)c3[nH]nnc3
InChi:	InChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16)
Definition date:	2023-05-09
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine

W6T

W6T
Name:	quinazolin-2-amine
Formula:	C8 H7 N3
SMILES:	Nc1ncc2ccccc2n1
InChi:	InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
Definition date:	2023-05-09
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	quinazolin-2-amine

WGH

WGH
Name:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone
Formula:	C17 H11 I3 O3
SMILES:	CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3
InChi:	InChI=1S/C17H11I3O3/c1-2-12-15(14-9(18)4-3-5-13(14)23-12)16(21)8-6-10(19)17(22)11(20)7-8/h3-7,22H,2H2,1H3
Definition date:	2023-10-03
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone

WGJ

WGJ
Name:	[4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone
Formula:	C17 H10 Cl2 I2 O3
SMILES:	CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c3cc(I)c(O)c(I)c3
InChi:	InChI=1S/C17H10Cl2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3
Definition date:	2023-10-03
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone

WH0

WH0
Name:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone
Formula:	C17 H10 F2 I2 O3
SMILES:	CCc1oc2c(F)ccc(F)c2c1C(=O)c3cc(I)c(O)c(I)c3
InChi:	InChI=1S/C17H10F2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3
Definition date:	2023-10-03
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone

WSO

WSO
Name:	(1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Formula:	C27 H36 N4 O3
SMILES:	CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)ccc3OC)c2C)c(OC(C)CCC)cc1
InChi:	InChI=1S/C27H36N4O3/c1-9-10-18(3)34-23-14-12-20(27(5,6)7)16-21(23)28-26(32)25-19(4)31(30-29-25)22-15-17(2)11-13-24(22)33-8/h11-16,18H,9-10H2,1-8H3,(H,28,32)/t18-/m0/s1
Definition date:	2023-05-17
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

WSX

WSX
Name:	(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Formula:	C28 H38 N4 O4
SMILES:	CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1
InChi:	InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m0/s1
Definition date:	2023-05-17
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

WT1

WT1
Name:	(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Formula:	C29 H40 N4 O5
SMILES:	CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(OC)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1
InChi:	InChI=1S/C29H40N4O5/c1-10-12-20(11-2)38-23-14-13-19(29(4,5)6)15-21(23)30-28(34)27-18(3)33(32-31-27)22-16-25(36-8)26(37-9)17-24(22)35-7/h13-17,20H,10-12H2,1-9H3,(H,30,34)/t20-/m0/s1
Definition date:	2023-05-17
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

WU2

WU2
Name:	(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Formula:	C29 H40 N4 O4
SMILES:	CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1
InChi:	InChI=1S/C29H40N4O4/c1-10-12-21(11-2)37-24-14-13-20(29(5,6)7)16-22(24)30-28(34)27-19(4)33(32-31-27)23-15-18(3)25(35-8)17-26(23)36-9/h13-17,21H,10-12H2,1-9H3,(H,30,34)/t21-/m0/s1
Definition date:	2023-05-18
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

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