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21C

21C
Name:	N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C15 H21 Cl2 N3 O4 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2O
InChi:	InChI=1S/C15H21Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h7-8,10,18-19,21H,2-6,9H2,1H3
Definition date:	2013-08-14
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21F

21F
Name:	N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C16 H23 Cl I N3 O4 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(I)c(Cl)cc2OC
InChi:	InChI=1S/C16H23ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h8-9,11,19-20H,3-7,10H2,1-2H3
Definition date:	2013-08-15
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21I

21I
Name:	~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide
Formula:	C24 H25 N7 O2
SMILES:	CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)C5CCC5
InChi:	InChI=1S/C24H25N7O2/c1-2-22(32)26-17-11-15(23-20-8-3-4-9-21(20)28-29-23)10-16(12-17)24(33)25-13-18-14-31(30-27-18)19-6-5-7-19/h3-4,8-12,14,19H,2,5-7,13H2,1H3,(H,25,33)(H,26,32)(H,28,29)
Definition date:	2021-06-15
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide

21J

21J
Name:	N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
Formula:	C18 H24 Cl2 N2 O6 S
SMILES:	O=S(=O)(NC3CCN(C(=O)COc2c(Cl)cc(Cl)c1OC(Oc12)(C)C)CC3)CC
InChi:	InChI=1S/C18H24Cl2N2O6S/c1-4-29(24,25)21-11-5-7-22(8-6-11)14(23)10-26-15-12(19)9-13(20)16-17(15)28-18(2,3)27-16/h9,11,21H,4-8,10H2,1-3H3
Definition date:	2013-08-16
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide

21K

21K
Name:	N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C15 H21 Cl2 N3 O3 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C15H21Cl2N3O3S/c1-2-24(22,23)19-12-5-7-20(8-6-12)15(21)10-18-14-4-3-11(16)9-13(14)17/h3-4,9,12,18-19H,2,5-8,10H2,1H3
Definition date:	2013-08-19
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21M

21M
Name:	N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
Formula:	C15 H20 Cl2 N2 O4 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)COc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C15H20Cl2N2O4S/c1-2-24(21,22)18-12-5-7-19(8-6-12)15(20)10-23-14-4-3-11(16)9-13(14)17/h3-4,9,12,18H,2,5-8,10H2,1H3
Definition date:	2013-08-19
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide

21R

21R
Name:	N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C17 H25 Cl2 N3 O3 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2CC
InChi:	InChI=1S/C17H25Cl2N3O3S/c1-3-12-9-14(18)15(19)10-16(12)20-11-17(23)22-7-5-13(6-8-22)21-26(24,25)4-2/h9-10,13,20-21H,3-8,11H2,1-2H3
Definition date:	2013-08-21
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21S

21S
Name:	N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C15 H19 Cl2 N5 O3 S2
SMILES:	O=S(=O)(NC3CCN(C(=O)CNc1c(Cl)cc(Cl)c2nsnc12)CC3)CC
InChi:	InChI=1S/C15H19Cl2N5O3S2/c1-2-27(24,25)21-9-3-5-22(6-4-9)12(23)8-18-13-10(16)7-11(17)14-15(13)20-26-19-14/h7,9,18,21H,2-6,8H2,1H3
Definition date:	2013-08-21
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide

21Y

21Y
Name:	1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
Formula:	C16 H21 Cl2 N3 O3
SMILES:	O=C(N1CCN(C(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2OC
InChi:	InChI=1S/C16H21Cl2N3O3/c1-3-15(22)20-4-6-21(7-5-20)16(23)10-19-13-8-11(17)12(18)9-14(13)24-2/h8-9,19H,3-7,10H2,1-2H3
Definition date:	2013-08-22
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one

220

220
Name:	UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE
Formula:	C15 H20 O4
SMILES:	O=CC(=C/CCCC=O)CCC=C(C=O)CCC=O
InChi:	InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2
Definition date:	2006-09-28
Last modified:	2024-09-27
Identifier:	(3E)-undeca-3,7-diene-1,3,7,11-tetracarbaldehyde

221

221
Name:	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE
Formula:	C12 H9 F6 N3 O S
SMILES:	N#CC(C(=O)N)C(S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C12H9F6N3OS/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)21-10(23)8(4-19)9(20)22/h1-3,8,10,21,23H,(H2,20,22)/t8?,10-/m1/s1
Definition date:	2006-10-16
Last modified:	2024-09-27
Identifier:	(2R,3R)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-sulfanylpropanamide

22C

22C
Name:	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
Formula:	C15 H18 Cl2 N2 O3
SMILES:	O=C(N1CCN(C(=O)CC)CC1)COc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C15H18Cl2N2O3/c1-2-14(20)18-5-7-19(8-6-18)15(21)10-22-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3
Definition date:	2013-08-22
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one

22G

22G
Name:	N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
Formula:	C18 H22 N2 O3
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2
InChi:	InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1
Definition date:	2013-08-23
Last modified:	2024-09-27
Release date:	2014-01-15
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine

22Q

22Q
Name:	(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione
Formula:	C9 H12 N2 O2 S
SMILES:	O=C1C(=N/C(C(=O)N1)=CS)CC(C)C
InChi:	InChI=1S/C9H12N2O2S/c1-5(2)3-6-8(12)11-9(13)7(4-14)10-6/h4-5,14H,3H2,1-2H3,(H,11,12,13)/b7-4-
Definition date:	2014-03-12
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione

22R

22R
Name:	2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
Formula:	C17 H18 N2
SMILES:	Cc1[nH]c2ccc(cc2c1CCN)c3ccccc3
InChi:	InChI=1S/C17H18N2/c1-12-15(9-10-18)16-11-14(7-8-17(16)19-12)13-5-3-2-4-6-13/h2-8,11,19H,9-10,18H2,1H3
Definition date:	2022-01-26
Last modified:	2024-09-27
Release date:	2023-08-30
Identifier:	2-(2-methyl-5-phenyl-1~{H}-indol-3-yl)ethanamine

22W

22W
Name:	2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one
Formula:	C9 H12 N2 O2 S
SMILES:	S=C=C1/N=C(OC1=O)C(N)C(C)CC
InChi:	InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1
Definition date:	2014-03-12
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one

23F

23F
Name:	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID
Formula:	C9 H9 N O2
SMILES:	O=C(O)C(/N)=C/c1ccccc1
InChi:	InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6-
Synonyms:	DEHYDROPHENYLALANINE
Definition date:	2005-10-17
Last modified:	2024-09-27
Identifier:	(2Z)-2-amino-3-phenylprop-2-enoic acid

23P

23P
Name:	3-(propanoylamino)-L-alanine
Formula:	C6 H12 N2 O3
SMILES:	O=C(NCC(N)C(=O)O)CC
InChi:	InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2012-12-12
Last modified:	2024-09-27
Release date:	2013-08-14
Identifier:	3-(propanoylamino)-L-alanine

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2024-09-27
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

247

247
Name:	(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
Formula:	C9 H9 F2 N O3
SMILES:	O=C(O)C(F)(F)C(N)c1ccc(O)cc1
InChi:	InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1
Definition date:	2007-09-14
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid

24M

24M
Name:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
Formula:	C12 H23 N O3
SMILES:	O=C(O)C1CCCC1C(O)C(N)CC(C)C
InChi:	InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1
Definition date:	2011-02-15
Last modified:	2024-09-27
Identifier:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid

24N

24N
Name:	1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C23 H25 F2 N9 O
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CC(F)(F)c4ccccc4)nn3)c5c(N)ncnc25
InChi:	InChI=1S/C23H25F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,2,6,9-11,13H2,1H3,(H2,26,27,28)/t16-/m1/s1
Definition date:	2021-06-15
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

24O

24O
Name:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
Formula:	C12 H21 N O4
SMILES:	O=C(O)C1CC(=O)CC1C(O)C(N)CC(C)C
InChi:	InChI=1S/C12H21NO4/c1-6(2)3-10(13)11(15)8-4-7(14)5-9(8)12(16)17/h6,8-11,15H,3-5,13H2,1-2H3,(H,16,17)/t8-,9-,10+,11+/m1/s1
Definition date:	2011-02-15
Last modified:	2024-09-27
Identifier:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid

A1H1J

A1H1J
Name:	(phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
Formula:	C26 H26 Cl F N4 O3
SMILES:	CN(N(Cc1cccc(Cl)c1F)C=N)C(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3
InChi:	InChI=1S/C26H26ClFN4O3/c1-31(32(18-29)16-21-13-8-14-22(27)24(21)28)25(33)23(15-19-9-4-2-5-10-19)30-26(34)35-17-20-11-6-3-7-12-20/h2-14,18,23,29H,15-17H2,1H3,(H,30,34)/b29-18-/t23-/m0/s1
Definition date:	2023-12-22
Last modified:	2024-09-27
Release date:	2024-05-29
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

A1H2E

A1H2E
Name:	1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine
Formula:	C17 H24 N4 O3 P
SMILES:	N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2
InChi:	InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1
Definition date:	2024-01-17
Last modified:	2024-09-27
Release date:	2024-01-31
Identifier:	[azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium

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