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OK9

OK9
Name:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
Formula:	C16 H16 N2 O3 S2
SMILES:	O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1
InChi:	InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10-
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide

AZ1

AZ1
Name:	AZELAIC ACID
Formula:	C9 H16 O4
SMILES:	O=C(O)CCCCCCCC(=O)O
InChi:	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
Definition date:	2004-07-07
Last modified:	2023-11-03
Identifier:	nonanedioic acid

OKW

OKW
Name:	2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide
Formula:	C16 H15 Cl N2 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2CCCc21
InChi:	InChI=1S/C16H15ClN2O/c17-13-5-1-3-11(7-13)8-16(20)19-15-10-18-9-12-4-2-6-14(12)15/h1,3,5,7,9-10H,2,4,6,8H2,(H,19,20)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide

OLX

OLX
Name:	[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
Formula:	C12 H13 N O4
SMILES:	O=C(O)CN1c2ccc(cc2C(O)C1=O)CC
InChi:	InChI=1S/C12H13NO4/c1-2-7-3-4-9-8(5-7)11(16)12(17)13(9)6-10(14)15/h3-5,11,16H,2,6H2,1H3,(H,14,15)/t11-/m1/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid

OMX

OMX
Name:	(betaR)-beta-hydroxy-L-Tyrosine
Formula:	C9 H11 N O4
SMILES:	O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1
Definition date:	2010-08-10
Last modified:	2023-11-03
Identifier:	(betaR)-beta-hydroxy-L-tyrosine

OMY

OMY
Name:	(betaR)-3-chloro-beta-hydroxy-L-tyrosine
Formula:	C9 H10 Cl N O4
SMILES:	Clc1cc(ccc1O)C(O)C(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m0/s1
Definition date:	2009-03-27
Last modified:	2023-11-03
Identifier:	(betaR)-3-chloro-beta-hydroxy-L-tyrosine

OMZ

OMZ
Name:	(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE
Formula:	C9 H10 Cl N O4
SMILES:	Clc1cc(ccc1O)C(O)C(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1
Definition date:	2010-08-06
Last modified:	2023-11-03
Identifier:	(betaR)-3-chloro-beta-hydroxy-D-tyrosine

B2C

B2C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 Br N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(Br)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16BrN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2023-11-03
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

B2F

B2F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

B2H

B2H
Name:	Chromophore (Thr, Trp, Gly)
Formula:	C17 H20 N4 O4
SMILES:	C[CH](O)[CH](N)c1nc(Cc2c[nH]c3ccccc23)c(O)n1CC(O)=O
InChi:	InChI=1S/C17H20N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,15,19,22,25H,6,8,18H2,1H3,(H,23,24)/t9-,15+/m1/s1
Definition date:	2017-09-06
Last modified:	2023-11-03
Release date:	2017-11-29
Identifier:	2-[2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

B2N

B2N
Name:	(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)CC(CN)C(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-2-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Definition date:	2016-01-22
Last modified:	2023-11-03
Release date:	2016-02-24
Identifier:	(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid

MN2

MN2
Name:	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
Formula:	C11 H17 N2 O2
SMILES:	O=C(O)CCNCc1ccc(cc1)C[NH3+]
InChi:	InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium

B3Y

B3Y
Name:	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID
Formula:	C10 H13 N O3
SMILES:	O=C(O)CC(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
Definition date:	2007-02-28
Last modified:	2023-11-03
Identifier:	(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid

MPR

MPR
Name:	2-MERCAPTO-PROPION ALDEHYDE
Formula:	C3 H6 O S
SMILES:	O=CCCS
InChi:	InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-sulfanylpropanal

MQ3

MQ3
Name:	(2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide
Formula:	C15 H22 N2 O
SMILES:	O=C(Nc1cnccc1C)C(C)C1CCCCC1
InChi:	InChI=1S/C15H22N2O/c1-11-8-9-16-10-14(11)17-15(18)12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,17,18)/t12-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide

7MD

7MD
Name:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine
Formula:	C17 H27 N8 O9 P
SMILES:	O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1
Definition date:	2011-09-11
Last modified:	2023-11-03
Identifier:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine

MS6

MS6
Name:	(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
Formula:	C5 H13 N S2
SMILES:	C(N)(CS)CCSC
InChi:	InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
Definition date:	2020-09-03
Last modified:	2023-11-03
Release date:	2020-09-23
Identifier:	(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol

7N8

7N8
Name:	4-Borono-L-phenylalanine
Formula:	C9 H12 B N O4
SMILES:	N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
InChi:	InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-11-24
Last modified:	2023-11-03
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid

7NF

7NF
Name:	2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
Formula:	C7 H7 N O4 S
SMILES:	CCOC(=O)c1scc(n1)C(O)=O
InChi:	InChI=1S/C7H7NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h3H,2H2,1H3,(H,9,10)
Definition date:	2016-11-27
Last modified:	2023-11-03
Release date:	2017-12-20
Identifier:	2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid

7NW

7NW
Name:	2-methyl-1,3-thiazole-4-carboxylic acid
Formula:	C5 H5 N O2 S
SMILES:	Cc1scc(n1)C(O)=O
InChi:	InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
Definition date:	2016-11-29
Last modified:	2023-11-03
Release date:	2017-12-20
Identifier:	2-methyl-1,3-thiazole-4-carboxylic acid

7NX

7NX
Name:	cyclohexylmethyl hydrogen carbonate
Formula:	C8 H14 O3
SMILES:	OC(=O)OCC1CCCCC1
InChi:	InChI=1S/C8H14O3/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
Definition date:	2016-11-29
Last modified:	2023-11-03
Release date:	2017-12-20
Identifier:	cyclohexylmethyl hydrogen carbonate

MTY

MTY
Name:	META-TYROSINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)Cc1cc(O)ccc1
InChi:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-hydroxy-L-phenylalanine

MU3

MU3
Name:	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C15 H16 N4 O2
SMILES:	O=C(Nc1nncn1C1CC1)C1CCOc2ccccc21
InChi:	InChI=1S/C15H16N4O2/c20-14(17-15-18-16-9-19(15)10-5-6-10)12-7-8-21-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,18,20)/t12-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

MV9

MV9
Name:	(2~{R})-3-methyl-2-(methylamino)butanoic acid
Formula:	C6 H13 N O2
SMILES:	CN[CH](C(C)C)C(O)=O
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m1/s1
Synonyms:	N-Methyl-D-valine
Definition date:	2015-12-01
Last modified:	2023-11-03
Release date:	2016-03-16
Identifier:	(2~{R})-3-methyl-2-(methylamino)butanoic acid

MVR

MVR
Name:	N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide
Formula:	C23 H21 N5 O
SMILES:	Cn1ccc(CN(C(=O)Cc2cccnc2)c2ccc(cc2)c2ccccn2)n1
InChi:	InChI=1S/C23H21N5O/c1-27-14-11-20(26-27)17-28(23(29)15-18-5-4-12-24-16-18)21-9-7-19(8-10-21)22-6-2-3-13-25-22/h2-14,16H,15,17H2,1H3
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide

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