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HS8

HS8
Name:	3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine
Formula:	C6 H10 N3 O5 S
SMILES:	O=S(=O)(O)n1cc([nH+]c1)CC(C(=O)O)N
InChi:	InChI=1S/C6H9N3O5S/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H,12,13,14)/p+1/t5-/m0/s1
Definition date:	2008-11-13
Last modified:	2023-11-03
Identifier:	3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine

HT0

HT0
Name:	(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
Formula:	C10 H9 N O5
SMILES:	O=C(O)C1NC(=O)OC1c1ccc(O)cc1
InChi:	InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1
Definition date:	2021-03-10
Last modified:	2023-11-03
Release date:	2022-12-07
Identifier:	(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

HT7

HT7
Name:	(3S)-3-AMINO-4-(1H-INDOL-3-YL)BUTANOIC ACID
Formula:	C12 H14 N2 O2
SMILES:	O=C(O)CC(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1
Synonyms:	BETA-HOMOTRYPTOPHAN
Definition date:	2011-05-18
Last modified:	2023-11-03
Identifier:	(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid

HTR

HTR
Name:	BETA-HYDROXYTRYPTOPHANE
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)C(N)C(O)c2c1ccccc1nc2
InChi:	InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(betaS)-beta-hydroxy-L-tryptophan

HTY

HTY
Name:	(betaR)-beta-hydroxy-D-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-/m1/s1
Definition date:	2002-09-02
Last modified:	2023-11-03
Identifier:	(betaR)-beta-hydroxy-D-tyrosine

I0C

I0C
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
Formula:
SMILES:	N[CH](CCN(CCCNc1ncnc2n(cnc12)C3OC(CO)C(O)C3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O
InChi:	InChI=1S/C27H38N12O9/c28-12(27(45)46)2-5-37(6-13-17(41)19(43)25(47-13)38-10-35-15-21(29)31-8-33-23(15)38)4-1-3-30-22-16-24(34-9-32-22)39(11-36-16)26-20(44)18(42)14(7-40)48-26/h8-14,17-20,25-26,40-44H,1-7,28H2,(H,45,46)(H2,29,31,33)(H,30,32,34)/t12-,13+,14?,17+,18?,19+,20?,25+,26?/m0/s1
Definition date:	2023-07-24
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid

I1C

I1C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 I N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(I)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16IN3O5/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-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

I2F

I2F
Name:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol
Formula:	C12 H26 N2 O5
SMILES:	CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO
InChi:	InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1
Definition date:	2022-02-08
Last modified:	2023-11-03
Release date:	2023-02-08
Identifier:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol

N1U

N1U
Name:	(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one
Formula:	C18 H18 Br N O4
SMILES:	COc1ccc(cc1OC)CN1c2c(C)cc(Br)cc2C(O)C1=O
InChi:	InChI=1S/C18H18BrNO4/c1-10-6-12(19)8-13-16(10)20(18(22)17(13)21)9-11-4-5-14(23-2)15(7-11)24-3/h4-8,17,21H,9H2,1-3H3/t17-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one

N2X

N2X
Name:	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C17 H16 Br N O3
SMILES:	CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O
InChi:	InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one

N3I

N3I
Name:	2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C15 H15 Cl N2 O2
SMILES:	O=C(Nc1cnccc1C)Cc1cc(OC)cc(Cl)c1
InChi:	InChI=1S/C15H15ClN2O2/c1-10-3-4-17-9-14(10)18-15(19)7-11-5-12(16)8-13(6-11)20-2/h3-6,8-9H,7H2,1-2H3,(H,18,19)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide

N3R

N3R
Name:	5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C19 H17 F N2 O4
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21
InChi:	InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

N43

N43
Name:	5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O5
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(OC)c12
InChi:	InChI=1S/C20H20N2O5/c1-25-15-7-3-4-8-16(15)27-11-10-21-20(24)13-12-18(23)22-14-6-5-9-17(26-2)19(13)14/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

N4L

N4L
Name:	N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O4
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(C)c21
InChi:	InChI=1S/C20H20N2O4/c1-13-6-5-7-15-19(13)14(12-18(23)22-15)20(24)21-10-11-26-17-9-4-3-8-16(17)25-2/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

N5L

N5L
Name:	N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
Formula:	C14 H14 Cl N3 O
SMILES:	O=C(Nc1cncc(N)c1C)Cc1cccc(Cl)c1
InChi:	InChI=1S/C14H14ClN3O/c1-9-12(16)7-17-8-13(9)18-14(19)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6,16H2,1H3,(H,18,19)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide

N65

N65
Name:	(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal
Formula:	C11 H22 N2 O2
SMILES:	CCCC(C)=NCCCC[CH](N)C(O)=O
InChi:	InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1
Definition date:	2019-11-13
Last modified:	2023-11-03
Release date:	2020-06-03
Identifier:	(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanoic acid

N6F

N6F
Name:	(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide
Formula:	C16 H16 Cl N3 O2
SMILES:	O=C(Nc1cnccc1NC(C)=O)C(C)c1cccc(Cl)c1
InChi:	InChI=1S/C16H16ClN3O2/c1-10(12-4-3-5-13(17)8-12)16(22)20-15-9-18-7-6-14(15)19-11(2)21/h3-10H,1-2H3,(H,20,22)(H,18,19,21)/t10-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide

N6X

N6X
Name:	N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide
Formula:	C15 H14 N4 O
SMILES:	O=C(Nc1cncc(N)c1C)Cc1cccc(C#N)c1
InChi:	InChI=1S/C15H14N4O/c1-10-13(17)8-18-9-14(10)19-15(20)6-11-3-2-4-12(5-11)7-16/h2-5,8-9H,6,17H2,1H3,(H,19,20)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide

N7L

N7L
Name:	(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
Formula:	C11 H13 F N2 O
SMILES:	O=C(Nc1cnccc1C)C1CC1CF
InChi:	InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide

4H0

4H0
Name:	(3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Formula:	C11 H9 F4 N O4
SMILES:	O=C(O)CC(C(=O)COc1c(F)c(F)cc(F)c1F)N
InChi:	InChI=1S/C11H9F4NO4/c12-4-1-5(13)10(15)11(9(4)14)20-3-7(17)6(16)2-8(18)19/h1,6H,2-3,16H2,(H,18,19)/t6-/m0/s1
Definition date:	2012-12-13
Last modified:	2023-11-03
Release date:	2013-03-20
Identifier:	(3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

4HH

4HH
Name:	4'-phosphopanthetheine-serine
Formula:	C14 H28 N3 O9 P S
SMILES:	O=C(O)C(N)COP(O)(=O)OCC(C)(C(C(=O)NCCC(=O)NCCS)O)C
InChi:	InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1
Synonyms:	O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine
Definition date:	2015-09-08
Last modified:	2023-11-03
Release date:	2015-09-23
Identifier:	O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine

4HL

4HL
Name:	(6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate
Formula:	C16 H17 N3 O5
SMILES:	O=C1C=C([O-])/C(C=C1CC(C(=O)O)N)=[NH+]/NCc2ccc(O)cc2
InChi:	InChI=1S/C16H17N3O5/c17-12(16(23)24)5-10-6-13(15(22)7-14(10)21)19-18-8-9-1-3-11(20)4-2-9/h1-4,6-7,12,18,20,22H,5,8,17H2,(H,23,24)/b19-13+/t12-/m0/s1
Definition date:	2006-11-30
Last modified:	2023-11-03
Identifier:	(6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate

4HT

4HT
Name:	4-HYDROXYTRYPTOPHAN
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)C(N)Cc2c1c(cccc1O)nc2
InChi:	InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1
Definition date:	2004-01-20
Last modified:	2023-11-03
Identifier:	4-hydroxy-L-tryptophan

N8X

N8X
Name:	2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide
Formula:	C13 H16 N4 O
SMILES:	O=C(Nc1nncn1C)Cc1cc(C)cc(C)c1
InChi:	InChI=1S/C13H16N4O/c1-9-4-10(2)6-11(5-9)7-12(18)15-13-16-14-8-17(13)3/h4-6,8H,7H2,1-3H3,(H,15,16,18)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide

N9I

N9I
Name:	2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
Formula:	C17 H19 N3 O
SMILES:	Cc1ccncc1CC(=O)Nc1cccc2CCNCc21
InChi:	InChI=1S/C17H19N3O/c1-12-5-7-18-10-14(12)9-17(21)20-16-4-2-3-13-6-8-19-11-15(13)16/h2-5,7,10,19H,6,8-9,11H2,1H3,(H,20,21)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

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