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0W6

0W6
Name:	(4S)-4-aminopentanoic acid
Formula:	C5 H11 N O2
SMILES:	O=C(O)CCC(N)C
InChi:	InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Synonyms:	(2E,4S)-4-aminopent-2-enoic acid, Bound form
Definition date:	2012-07-19
Last modified:	2023-11-03
Release date:	2012-10-19
Identifier:	(4S)-4-aminopentanoic acid

2UE

2UE
Name:	1-[4-(2-oxoethyl)benzyl]guanidine
Formula:	C10 H13 N3 O
SMILES:	C(c1ccc(cc1)CNC(N)=[N@H])C=O
InChi:	InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-8(2-4-9)5-6-14/h1-4,6H,5,7H2,(H4,11,12,13)
Definition date:	2015-06-22
Last modified:	2023-11-03
Release date:	2015-07-01
Identifier:	1-[4-(2-oxoethyl)benzyl]guanidine

KZC

KZC
Name:	N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C18 H17 N3 O2
SMILES:	O=C(NCCNc1ccccc1)C1=CC(=O)Nc2ccccc21
InChi:	InChI=1S/C18H17N3O2/c22-17-12-15(14-8-4-5-9-16(14)21-17)18(23)20-11-10-19-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,20,23)(H,21,22)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

KZG

KZG
Name:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti c acid
Formula:	C14 H14 I N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(c(cc2)O)I
InChi:	InChI=1S/C14H14IN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)3-I
Definition date:	2019-01-28
Last modified:	2023-11-03
Release date:	2019-06-12
Identifier:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KZV

KZV
Name:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ace tic acid
Formula:	C14 H14 F N3 O4 S
SMILES:	NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2cc(F)c(cc2)O
InChi:	InChI=1S/C14H14FN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)-3F
Definition date:	2019-01-28
Last modified:	2023-11-03
Release date:	2019-06-12
Identifier:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KZX

KZX
Name:	2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 F N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(F)c1
InChi:	InChI=1S/C14H13FN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide

KZY

KZY
Name:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H17 N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)C
InChi:	InChI=1S/C15H17N3O4S/c1-8-4-9(2-3-12(8)19)5-11-15(22)18(6-13(20)21)14(17-11)10(16)7-23/h2-5,10,19,23H,6-7,16H2,1H3,(H,20,21)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)3-CH3
Definition date:	2019-01-28
Last modified:	2023-11-03
Release date:	2019-06-12
Identifier:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

0WZ

0WZ
Name:	3-(1H-pyrazol-1-yl)-L-tyrosine
Formula:	C12 H13 N3 O3
SMILES:	O=C(O)C(N)Cc1ccc(O)c(c1)n2nccc2
InChi:	InChI=1S/C12H13N3O3/c13-9(12(17)18)6-8-2-3-11(16)10(7-8)15-5-1-4-14-15/h1-5,7,9,16H,6,13H2,(H,17,18)/t9-/m0/s1
Definition date:	2012-08-16
Last modified:	2023-11-03
Release date:	2012-08-24
Identifier:	3-(1H-pyrazol-1-yl)-L-tyrosine

0XL

0XL
Name:	2-amino-2-ethylbutanoic acid
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)(CC)CC
InChi:	InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
Definition date:	2012-08-29
Last modified:	2023-11-03
Release date:	2013-07-31
Identifier:	2-amino-2-ethylbutanoic acid

0XM

0XM
Name:	1,1-diphenylmethanamine
Formula:	C13 H13 N
SMILES:	c1(ccccc1)C(N)c2ccccc2
InChi:	InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
Definition date:	2012-08-29
Last modified:	2023-11-03
Release date:	2013-07-31
Identifier:	1,1-diphenylmethanamine

0XN

0XN
Name:	1,1-bis(4-fluorophenyl)methanamine
Formula:	C13 H11 F2 N
SMILES:	Fc1ccc(cc1)C(N)c2ccc(F)cc2
InChi:	InChI=1S/C13H11F2N/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13H,16H2
Definition date:	2012-08-29
Last modified:	2023-11-03
Release date:	2013-07-31
Identifier:	1,1-bis(4-fluorophenyl)methanamine

0XO

0XO
Name:	2-methyl-D-lysine
Formula:	C7 H16 N2 O2
SMILES:	O=C(O)C(N)(CCCCN)C
InChi:	InChI=1S/C7H16N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2-5,8-9H2,1H3,(H,10,11)/t7-/m1/s1
Definition date:	2012-08-29
Last modified:	2023-11-03
Release date:	2014-02-19
Identifier:	2-methyl-D-lysine

0XQ

0XQ
Name:	(2R)-2,8-diamino-2-methyloctanoic acid
Formula:	C9 H20 N2 O2
SMILES:	O=C(O)C(N)(CCCCCCN)C
InChi:	InChI=1S/C9H20N2O2/c1-9(11,8(12)13)6-4-2-3-5-7-10/h2-7,10-11H2,1H3,(H,12,13)/t9-/m1/s1
Definition date:	2012-08-29
Last modified:	2023-11-03
Release date:	2014-02-19
Identifier:	(2R)-2,8-diamino-2-methyloctanoic acid

0Y8

0Y8
Name:	(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline
Formula:	C14 H13 Br N2 O3
SMILES:	O=C(O)C3NCC(Oc1nccc2c1cc(Br)cc2)C3
InChi:	InChI=1S/C14H13BrN2O3/c15-9-2-1-8-3-4-16-13(11(8)5-9)20-10-6-12(14(18)19)17-7-10/h1-5,10,12,17H,6-7H2,(H,18,19)/t10-,12+/m1/s1
Definition date:	2012-09-12
Last modified:	2023-11-03
Release date:	2012-12-07
Identifier:	(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline

0Y9

0Y9
Name:	(1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid
Formula:	C6 H9 N O2
SMILES:	O=C(O)C1(N)CC1C=C
InChi:	InChI=1S/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)/t4-,6-/m1/s1
Definition date:	2012-09-12
Last modified:	2023-11-03
Identifier:	(1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid

L1F

L1F
Name:	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O4
SMILES:	COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc21
InChi:	InChI=1S/C20H20N2O4/c1-22(11-12-26-18-10-6-5-9-17(18)25-2)20(24)15-13-19(23)21-16-8-4-3-7-14(15)16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

0YG

0YG
Name:	N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine
Formula:	C11 H12 N2 O4
SMILES:	NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O
InChi:	InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5-
Definition date:	2010-02-16
Last modified:	2023-11-03
Identifier:	2-[[(Z)-2-azanyl-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethanoic acid

L2I

L2I
Name:	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide
Formula:	C16 H19 N3 O
SMILES:	O=C(Nc1cccnc1)C(CCNC)c1ccccc1
InChi:	InChI=1S/C16H19N3O/c1-17-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-18-12-14/h2-8,10,12,15,17H,9,11H2,1H3,(H,19,20)/t15-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide

L2O

L2O
Name:	(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(O)C(N)CC(C)C
InChi:	InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
Definition date:	2010-10-09
Last modified:	2023-11-03
Identifier:	(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid

L3I

L3I
Name:	2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide
Formula:	C16 H17 Cl N2 O
SMILES:	O=C(Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1
InChi:	InChI=1S/C16H17ClN2O/c1-11-7-8-18-10-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12/h4-10H,1-3H3,(H,19,20)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide

L3O

L3O
Name:	(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(O)C(N)CC(C)C
InChi:	InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
Definition date:	2009-05-03
Last modified:	2023-11-03
Identifier:	(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid

L3R

L3R
Name:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C24 H25 F O5 S
SMILES:	Cc1ccc(cc1Cc2sc(cc2)c3ccc(F)cc3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O
InChi:	InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
Synonyms:	Canagliflozin
Definition date:	2022-11-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

11Q

11Q
Name:	1-(cyclohexylmethyl)-L-proline
Formula:	C12 H21 N O2
SMILES:	O=C(O)C2N(CC1CCCCC1)CCC2
InChi:	InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
Definition date:	2012-09-29
Last modified:	2023-11-03
Release date:	2013-04-03
Identifier:	1-(cyclohexylmethyl)-L-proline

L4N

L4N
Name:	(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide
Formula:	C14 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)C1CCC2(CC2)C1
InChi:	InChI=1S/C14H18N2O/c1-10-3-7-15-9-12(10)16-13(17)11-2-4-14(8-11)5-6-14/h3,7,9,11H,2,4-6,8H2,1H3,(H,16,17)/t11-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide

L4R

L4R
Name:	Fmoc-(R)-2-(7-octenyl)alanine
Formula:	C11 H21 N O2
SMILES:	C[C](N)(CCCCCCC=C)C(O)=O
InChi:	InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1
Definition date:	2022-06-16
Last modified:	2023-11-03
Release date:	2022-07-20
Identifier:	(2~{R})-2-azanyl-2-methyl-dec-9-enoic acid

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