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3WU

3WU
Name:	(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
Formula:	C9 H17 N O3
SMILES:	O=C(O)C(C(OC)C1NCCC1)C
InChi:	InChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m1/s1
Definition date:	2014-12-01
Last modified:	2023-11-03
Release date:	2015-03-25
Identifier:	(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid

3WX

3WX
Name:	2-methyl-L-proline
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1(NCCC1)C
InChi:	InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
Definition date:	2014-12-01
Last modified:	2023-11-03
Release date:	2015-03-25
Identifier:	2-methyl-L-proline

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

3YM

3YM
Name:	3-methoxy-L-tyrosine
Formula:	C10 H13 N O4
SMILES:	O=C(O)C(N)Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
Definition date:	2012-10-29
Last modified:	2023-11-03
Release date:	2013-10-30
Identifier:	3-methoxy-L-tyrosine

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

3ZH

3ZH
Name:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid
Formula:	C31 H51 N3 O4
SMILES:	O=C(O)C(N)CC1=CN(CCCCCCCCCCC(=O)O)CN1CCCCCCCCc2ccccc2
InChi:	InChI=1S/C31H51N3O4/c32-29(31(37)38)24-28-25-33(22-16-9-5-2-1-3-8-15-21-30(35)36)26-34(28)23-17-10-6-4-7-12-18-27-19-13-11-14-20-27/h11,13-14,19-20,25,29H,1-10,12,15-18,21-24,26,32H2,(H,35,36)(H,37,38)/t29-/m0/s1
Definition date:	2014-12-12
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid

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

40A

40A
Name:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:	C12 H17 N7 O3
SMILES:	O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O3/c1-7(13)2-18(4-9(21)22)8(20)3-19-6-17-10-11(14)15-5-16-12(10)19/h5-7H,2-4,13H2,1H3,(H,21,22)(H2,14,15,16)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

40C

40C
Name:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C11 H17 N5 O4
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C11H17N5O4/c1-7(12)4-16(6-10(18)19)9(17)5-15-3-2-8(13)14-11(15)20/h2-3,7H,4-6,12H2,1H3,(H,18,19)(H2,13,14,20)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

40G

40G
Name:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C12 H17 N7 O4
SMILES:	O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O4/c1-6(13)2-18(4-8(21)22)7(20)3-19-5-15-9-10(19)16-12(14)17-11(9)23/h5-6H,2-4,13H2,1H3,(H,21,22)(H3,14,16,17,23)/t6-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

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

40T

40T
Name:	N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H18 N4 O5
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=C(C(=O)NC1=O)C
InChi:	InChI=1S/C12H18N4O5/c1-7-3-16(12(21)14-11(7)20)5-9(17)15(4-8(2)13)6-10(18)19/h3,8H,4-6,13H2,1-2H3,(H,18,19)(H,14,20,21)/t8-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

N80

N80
Name:	1-ethenyl-L-proline
Formula:	C7 H11 N O2
SMILES:	O=C(O)C1N(C=C)CCC1
InChi:	InChI=1S/C7H11NO2/c1-2-8-5-3-4-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)/t6-/m0/s1
Definition date:	2014-11-25
Last modified:	2023-11-03
Release date:	2015-03-11
Identifier:	1-ethenyl-L-proline

41H

41H
Name:	(betaS)-beta-methyl-L-phenylalanine
Formula:	C10 H13 N O2
SMILES:	O=C(O)C(N)C(c1ccccc1)C
InChi:	InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1
Definition date:	2015-01-09
Last modified:	2023-11-03
Release date:	2016-02-03
Identifier:	(betaS)-beta-methyl-L-phenylalanine

41Q

41Q
Name:	4-imino-L-homoserine
Formula:	C4 H8 N2 O3
SMILES:	O=C(O)C(N)CC(=[N@H])O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
Definition date:	2015-01-15
Last modified:	2023-11-03
Release date:	2015-10-07
Identifier:	4-imino-L-homoserine

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

N9K

N9K
Name:	(2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
Formula:	C10 H13 N O3
SMILES:	CN[CH](Cc1ccc(O)cc1)C(O)=O
InChi:	InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
Definition date:	2019-11-19
Last modified:	2023-11-03
Release date:	2020-03-04
Identifier:	(2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid

N9P

N9P
Name:	3-pyridin-4-yl-L-alanine
Formula:	C8 H10 N2 O2
SMILES:	NC(C(=O)O)Cc1ccncc1
InChi:	InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
Definition date:	2019-05-09
Last modified:	2023-11-03
Release date:	2020-04-29
Identifier:	3-pyridin-4-yl-L-alanine

42Y

42Y
Name:	O-propanoyl-L-serine
Formula:	C6 H11 N O4
SMILES:	O=C(OCC(C(=O)O)N)CC
InChi:	InChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
Definition date:	2015-01-23
Last modified:	2023-11-03
Release date:	2016-01-27
Identifier:	O-propanoyl-L-serine

432

432
Name:	O-butanoyl-L-serine
Formula:	C7 H13 N O4
SMILES:	O=C(OCC(C(=O)O)N)CCC
InChi:	InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
Definition date:	2015-01-23
Last modified:	2023-11-03
Release date:	2016-01-27
Identifier:	O-butanoyl-L-serine

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