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6L5

6L5
Name:	(3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)
Formula:	C20 H28 N8 O8
SMILES:	n1c2n(cnc2c(N)nc1)C3OC(C(=O)NCCCCCC(=O)NC(CC(=O)O)C(N)=O)C(C3O)O
InChi:	InChI=1S/C20H28N8O8/c21-16-12-18(25-7-24-16)28(8-26-12)20-14(33)13(32)15(36-20)19(35)23-5-3-1-2-4-10(29)27-9(17(22)34)6-11(30)31/h7-9,13-15,20,32-33H,1-6H2,(H2,22,34)(H,23,35)(H,27,29)(H,30,31)(H2,21,24,25)/t9-,13+,14-,15+,20-/m1/s1
Definition date:	2016-04-27
Last modified:	2024-09-27
Release date:	2016-05-11
Identifier:	(3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)

6L8

6L8
Name:	(2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide
Formula:	C17 H12 F6 N6 O
SMILES:	c3c(cc(c2ncn(CC(C(=O)N)c1cncnc1)n2)cc3C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C17H12F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-5,7-8,13H,6H2,(H2,24,30)/t13-/m0/s1
Definition date:	2016-04-28
Last modified:	2024-09-27
Release date:	2016-06-29
Identifier:	(2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide

6L9

6L9
Name:	[(2S)-2,3-diamino-3-oxopropyl]propanedioic acid
Formula:	C6 H10 N2 O5
SMILES:	OC(C(C(=O)O)CC(C(=O)N)N)=O
InChi:	InChI=1S/C6H10N2O5/c7-3(4(8)9)1-2(5(10)11)6(12)13/h2-3H,1,7H2,(H2,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
Definition date:	2016-04-28
Last modified:	2024-09-27
Release date:	2017-05-10
Identifier:	[(2S)-2,3-diamino-3-oxopropyl]propanedioic acid

6LN

6LN
Name:	ethane-1,2-dithiol
Formula:	C2 H6 S2
SMILES:	C(S)CS
InChi:	InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
Definition date:	2016-05-02
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	ethane-1,2-dithiol

6M4

6M4
Name:	1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
Formula:	C7 H8 B O3
SMILES:	c1c2c(ccc1)[B+](OC2)(O)O
InChi:	InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1
Definition date:	2016-05-04
Last modified:	2024-09-27
Release date:	2016-10-19
Identifier:	1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium

6M6

6M6
Name:	S-[(2-phenylethyl)carbamothioyl]-L-cysteine
Formula:	C12 H16 N2 O2 S2
SMILES:	S(C(NCCc1ccccc1)=S)CC(C(O)=O)N
InChi:	InChI=1S/C12H16N2O2S2/c13-10(11(15)16)8-18-12(17)14-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1
Definition date:	2016-05-05
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	S-[(2-phenylethyl)carbamothioyl]-L-cysteine

6M9

6M9
Name:	2,1-benzoxaborol-1(3H)-ol
Formula:	C7 H7 B O2
SMILES:	c21B(OCc1cccc2)O
InChi:	InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
Definition date:	2016-05-05
Last modified:	2024-09-27
Release date:	2016-10-19
Identifier:	2,1-benzoxaborol-1(3H)-ol

6N5

6N5
Name:	~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide
Formula:	C36 H43 N3 O6
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[CH](Cc4ccccc4)[CH](O)[CH](C)CO)cc1
InChi:	InChI=1S/C36H43N3O6/c1-22(21-40)33(41)31(18-25-10-6-5-7-11-25)38-36(44)32(19-26-14-16-28(45-4)17-15-26)39-34(42)24(3)37-35(43)30-20-27-12-8-9-13-29(27)23(30)2/h5-7,9-17,20,22,24,31-33,40-41H,8,18-19,21H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t22-,24+,31+,32+,33+/m1/s1
Definition date:	2016-05-30
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide

6NV

6NV
Name:	~{N}-[(2~{R})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide
Formula:	C36 H43 N3 O6
SMILES:	COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[CH](Cc4ccccc4)[CH](O)[CH](C)CO)cc1
InChi:	InChI=1S/C36H43N3O6/c1-22(21-40)33(41)31(18-25-10-6-5-7-11-25)38-36(44)32(19-26-14-16-28(45-4)17-15-26)39-34(42)24(3)37-35(43)30-20-27-12-8-9-13-29(27)23(30)2/h5-7,9-17,20,22,24,31-33,40-41H,8,18-19,21H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t22-,24-,31+,32+,33+/m1/s1
Definition date:	2016-05-30
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	~{N}-[(2~{R})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide

6O2

6O2
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate
Formula:	C18 H18 N6 O6 S
SMILES:	N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(Nc4cccc(c4)C#C)ncnc23
InChi:	InChI=1S/C18H18N6O6S/c1-2-10-4-3-5-11(6-10)23-16-13-17(21-8-20-16)24(9-22-13)18-15(26)14(25)12(30-18)7-29-31(19,27)28/h1,3-6,8-9,12,14-15,18,25-26H,7H2,(H2,19,27,28)(H,20,21,23)/t12-,14-,15-,18-/m1/s1
Synonyms:	ABPA3
Definition date:	2016-05-30
Last modified:	2024-09-27
Release date:	2017-06-14
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate

6OA

6OA
Name:	(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid
Formula:	C6 H8 O4
SMILES:	O=C(O)C(O)=CC=CCO
InChi:	InChI=1S/C6H8O4/c7-4-2-1-3-5(8)6(9)10/h1-3,7-8H,4H2,(H,9,10)/b2-1+,5-3-
Definition date:	2013-12-17
Last modified:	2024-09-27
Release date:	2014-12-24
Identifier:	(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid

6OY

6OY
Name:	ethyl (4R)-4-[[(2S,4S)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Formula:	C32 H43 N5 O7
SMILES:	CCOC(=O)CCC(NC(=O)C1N(CC(C1)c2ccccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4CCNC4=O
InChi:	InChI=1S/C32H43N5O7/c1-5-43-27(38)12-11-24(16-22-13-14-33-29(22)39)34-31(41)26-17-23(21-9-7-6-8-10-21)18-37(26)32(42)28(19(2)3)35-30(40)25-15-20(4)44-36-25/h6-10,15,19,22-24,26,28H,5,11-14,16-18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)/t22-,23+,24+,26-,28-/m0/s1
Definition date:	2016-02-25
Last modified:	2024-09-27
Release date:	2016-06-22
Identifier:	N-(5-methyl-1,2-oxazole-3-carbonyl)-L-valyl-(4S)-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-phenyl-L-prolinamide

6P6

6P6
Name:	1-(4-phenylazanylquinazolin-7-yl)ethanone
Formula:	C16 H13 N3 O
SMILES:	CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1
InChi:	InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19)
Definition date:	2016-05-31
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	1-(4-phenylazanylquinazolin-7-yl)ethanone

6P8

6P8
Name:	~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
Formula:	C16 H14 N4 O
SMILES:	CC(=O)Nc1ccc2c(Nc3ccccc3)ncnc2c1
InChi:	InChI=1S/C16H14N4O/c1-11(21)19-13-7-8-14-15(9-13)17-10-18-16(14)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)(H,17,18,20)
Definition date:	2016-05-31
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide

6QR

6QR
Name:	(2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula:	C18 H20 N2 O4 S
SMILES:	C[CH](O)[CH](C=O)[CH]1N=C([CH](Sc2c[nH]c3ccccc23)[CH]1C)C(O)=O
InChi:	InChI=1S/C18H20N2O4S/c1-9-15(12(8-21)10(2)22)20-16(18(23)24)17(9)25-14-7-19-13-6-4-3-5-11(13)14/h3-10,12,15,17,19,22H,1-2H3,(H,23,24)/t9-,10+,12-,15-,17-/m1/s1
Definition date:	2016-05-25
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	(2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

6R3

6R3
Name:	2-azanylpenta-1,4-dien-3-one
Formula:	C5 H7 N O
SMILES:	NC(=C)C(=O)C=C
InChi:	InChI=1S/C5H7NO/c1-3-5(7)4(2)6/h3H,1-2,6H2
Definition date:	2016-05-27
Last modified:	2024-09-27
Release date:	2016-10-05
Identifier:	2-azanylpenta-1,4-dien-3-one

6RK

6RK
Name:	4-azanylcyclohexane-1-carboxylic acid
Formula:	C7 H13 N O2
SMILES:	N[CH]1CC[CH](CC1)C(O)=O
InChi:	InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-
Definition date:	2016-06-03
Last modified:	2024-09-27
Release date:	2016-07-13
Identifier:	4-azanylcyclohexane-1-carboxylic acid

6S6

6S6
Name:	(1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
Formula:	C15 H28 N4 O6
SMILES:	O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O
InChi:	InChI=1S/C15H28N4O6/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21/h9-14,17,20-23H,1-8H2,(H,24,25)/t9-,10+,11+,12-,13-,14-/m0/s1
Definition date:	2016-06-13
Last modified:	2024-09-27
Release date:	2017-05-31
Identifier:	(1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid

6SE

6SE
Name:	triselane
Formula:	H2 Se3
SMILES:	[SeH][Se][SeH]
InChi:	InChI=1S/H2Se3/c1-3-2/h1-2H
Definition date:	2011-08-05
Last modified:	2024-09-27
Identifier:	triselane

6SI

6SI
Name:	(3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide
Formula:	C14 H23 N8 O2 S
SMILES:	N[NH2+]NCC(=O)N1CCc2nc(NC(=O)[CH]3CCN(C3)C=N)sc2C1
InChi:	InChI=1S/C14H22N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h8-9,15,17,20H,1-7,16H2,(H,18,19,24)/p+1/b15-8+/t9-/m0/s1
Definition date:	2021-08-02
Last modified:	2024-09-27
Release date:	2022-08-10
Identifier:	azanyl-[[2-[2-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]carbonylamino]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxidanylidene-ethyl]amino]azanium

6SM

6SM
Name:	5-chloranylpyrimidine-4-carboxylic acid
Formula:	C5 H3 Cl N2 O2
SMILES:	OC(=O)c1ncncc1Cl
InChi:	InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)
Definition date:	2016-06-15
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	5-chloranylpyrimidine-4-carboxylic acid

6T8

6T8
Name:	N-((S)-3-(4-(aminomethyl)phenyl)-1-(((R)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide
Formula:	C25 H35 B N6 O5
SMILES:	NCc1ccc(C[CH](NC(=O)c2ccccc2)C(=O)N[CH](CCCNC(N)=N)B3OCC(O)CO3)cc1
InChi:	InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-15-20(33)16-37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t21-,22-/m0/s1
Definition date:	2016-06-20
Last modified:	2024-09-27
Release date:	2016-07-06
Identifier:	~{N}-[(2~{S})-3-[4-(aminomethyl)phenyl]-1-[[(1~{R})-4-carbamimidamido-1-(5-oxidanyl-1,3,2-dioxaborinan-2-yl)butyl]amino]-1-oxidanylidene-propan-2-yl]benzamide

6TS

6TS
Name:	[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
Formula:	C31 H34 Cl N7 O3
SMILES:	CCC(=O)Nc1ccccc1Nc2nc(Nc3ccnc(c3)C#CCCNC(=O)O[CH]4CCCC=CCC4)ncc2Cl
InChi:	InChI=1S/C31H34ClN7O3/c1-2-28(40)37-26-15-8-9-16-27(26)38-29-25(32)21-35-30(39-29)36-23-17-19-33-22(20-23)12-10-11-18-34-31(41)42-24-13-6-4-3-5-7-14-24/h3-4,8-9,15-17,19-21,24H,2,5-7,11,13-14,18H2,1H3,(H,34,41)(H,37,40)(H2,33,35,36,38,39)/b4-3-/t24-/m0/s1
Definition date:	2016-06-22
Last modified:	2024-09-27
Release date:	2016-08-31
Identifier:	[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate

6TT

6TT
Name:	~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
Formula:	C20 H19 F3 N6 O2
SMILES:	CCC(=O)Nc1ccccc1Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F
InChi:	InChI=1S/C20H19F3N6O2/c1-3-17(30)27-15-6-4-5-7-16(15)28-18-14(20(21,22)23)11-25-19(29-18)26-12-8-13(31-2)10-24-9-12/h4-11H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29)
Definition date:	2016-06-22
Last modified:	2024-09-27
Release date:	2016-07-20
Identifier:	~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide

6UU

6UU
Name:	[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid
Formula:	C10 H13 N2 O3 P
SMILES:	O[P](O)(=O)NCCc1c[nH]c2ccccc12
InChi:	InChI=1S/C10H13N2O3P/c13-16(14,15)12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2,(H3,12,13,14,15)
Definition date:	2016-06-28
Last modified:	2024-09-27
Release date:	2017-06-28
Identifier:	[2-(1~{H}-indol-3-yl)ethylamino]phosphonic acid

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