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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

4II

4II
Name:	(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid
Formula:	C9 H10 N4 O2
SMILES:	N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O
InChi:	InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1
Definition date:	2018-08-19
Last modified:	2023-11-03
Release date:	2018-12-05
Identifier:	(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid

4IN

4IN
Name:	4-AMINO-L-TRYPTOPHAN
Formula:	C11 H13 N3 O2
SMILES:	O=C(O)C(N)Cc2c1c(cccc1nc2)N
InChi:	InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1
Synonyms:	2-AMINO-3-(4-AMINO-1H-INDOL-3-YL)PROPANOIC ACID
Definition date:	2003-04-15
Last modified:	2023-11-03
Identifier:	4-amino-L-tryptophan

NB0

NB0
Name:	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one
Formula:	C20 H18 F N3 O2
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F
InChi:	InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one

NB6

NB6
Name:	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Br N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(Br)c1
InChi:	InChI=1S/C14H13BrN2O/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:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide

NBQ

NBQ
Name:	2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
Formula:	C23 H22 N2 O6
SMILES:	O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:	InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
Definition date:	2004-03-08
Last modified:	2023-11-03
Identifier:	2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

4KY

4KY
Name:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline
Formula:	C15 H25 N O4
SMILES:	C(=C)CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O
InChi:	InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1
Definition date:	2015-04-01
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline

4L0

4L0
Name:	(4R)-1-acetyl-4-(hexyloxy)-L-proline
Formula:	C13 H23 N O4
SMILES:	N1(CC(CC1C(=O)O)OCCCCCC)C(C)=O
InChi:	InChI=1S/C13H23NO4/c1-3-4-5-6-7-18-11-8-12(13(16)17)14(9-11)10(2)15/h11-12H,3-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
Synonyms:	(4R)-1-acetyl-4-(hex-5-en-1-yloxy)-L-proline (bound form)
Definition date:	2015-04-02
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(hexyloxy)-L-proline

4LZ

4LZ
Name:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
Formula:	C11 H15 N4 O3
SMILES:	C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O
InChi:	InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1
Definition date:	2015-04-14
Last modified:	2023-11-03
Release date:	2015-05-06
Identifier:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine

NDI

NDI
Name:	2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H20 N4 O2
SMILES:	O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C
InChi:	InChI=1S/C14H20N4O2/c1-11-3-4-15-9-13(11)16-14(20)10-17-5-7-18(8-6-17)12(2)19/h3-4,9H,5-8,10H2,1-2H3,(H,16,20)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide

NEL

NEL
Name:	2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide
Formula:	C15 H12 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12
InChi:	InChI=1S/C15H12ClN3O/c16-11-4-1-3-10(7-11)8-15(20)18-13-5-2-6-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide

4NT

4NT
Name:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C15 H16 Cl N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(Cl)c(cc2)O
InChi:	InChI=1S/C15H16ClN3O5/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
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2015-04-21
Last modified:	2023-11-03
Release date:	2015-06-10
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

4NU

4NU
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 Cl2 N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=CC2C=C(Cl)C(C(=C2)Cl)=O
InChi:	InChI=1S/C15H15Cl2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6-7,12,21H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2015-04-21
Last modified:	2023-11-03
Release date:	2015-06-10
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

NEP

NEP
Name:	N1-PHOSPHONOHISTIDINE
Formula:	C6 H10 N3 O5 P
SMILES:	O=P(O)(O)n1cc(nc1)CC(C(=O)O)N
InChi:	InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1
Definition date:	1999-07-26
Last modified:	2023-11-03
Identifier:	1-phosphono-L-histidine

4OG

4OG
Name:	3-(1-benzothiophen-3-yl)-L-alanine
Formula:	C11 H11 N O2 S
SMILES:	c12scc(c1cccc2)CC(N)C(O)=O
InChi:	InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2015-04-28
Last modified:	2023-11-03
Release date:	2016-03-02
Identifier:	3-(1-benzothiophen-3-yl)-L-alanine

NFK

NFK
Name:	N'-Formylkynurenine
Formula:	C11 H12 N2 O4
SMILES:	O=C(O)C(CC(c1ccccc1NC=O)=O)N
InChi:	InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1
Synonyms:	(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
Definition date:	2016-10-04
Last modified:	2023-11-03
Release date:	2016-10-26
Identifier:	(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid

4OU

4OU
Name:	4-(acryloylamino)-L-phenylalanine
Formula:	C12 H14 N2 O3
SMILES:	c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N
InChi:	InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1
Definition date:	2015-04-29
Last modified:	2023-11-03
Release date:	2015-05-20
Identifier:	4-(acryloylamino)-L-phenylalanine

4PQ

4PQ
Name:	5-hydroxy-L-tryptophan
Formula:	C11 H12 N2 O3
SMILES:	NC(C(=O)O)Cc1cnc2ccc(cc12)O
InChi:	InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
Synonyms:	Oxitriptan
Definition date:	2015-05-01
Last modified:	2023-11-03
Release date:	2017-01-11
Identifier:	5-hydroxy-L-tryptophan

4QK

4QK
Name:	6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine
Formula:	C10 H19 N5 O2
SMILES:	NC(CCCCn1cc(CCN)nn1)C(O)=O
InChi:	InChI=1S/C10H19N5O2/c11-5-4-8-7-15(14-13-8)6-2-1-3-9(12)10(16)17/h7,9H,1-6,11-12H2,(H,16,17)/t9-/m0/s1
Definition date:	2016-07-19
Last modified:	2023-11-03
Release date:	2016-09-21
Identifier:	6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine

ELY

ELY
Name:	N~6~,N~6~-diethyl-L-lysine
Formula:	C10 H22 N2 O2
SMILES:	C(=O)(C(N)CCCCN(CC)CC)O
InChi:	InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-6-(diethylamino)hexanoic acid
Definition date:	2011-03-25
Last modified:	2023-11-03
Identifier:	N~6~,N~6~-diethyl-L-lysine

65T

65T
Name:	(2E)-2-[(4-sulfamoylphenyl)methoxyimino]ethanoic acid
Formula:	C9 H10 N2 O5 S
SMILES:	N[S](=O)(=O)c1ccc(CON=CC(O)=O)cc1
InChi:	InChI=1S/C9H10N2O5S/c10-17(14,15)8-3-1-7(2-4-8)6-16-11-5-9(12)13/h1-5H,6H2,(H,12,13)(H2,10,14,15)/b11-5-
Definition date:	2021-07-23
Last modified:	2023-11-03
Release date:	2023-01-18
Identifier:	(2~{E})-2-[(4-sulfamoylphenyl)methoxyimino]ethanoic acid

66C

66C
Name:	4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine
Formula:	C27 H26 N6 O3
SMILES:	O=C(CCN)N2Cc1ccccc1c4c(c3c2cccc3)nnn4c5ccc(cc5)CC(C(=O)O)N
InChi:	InChI=1S/C27H26N6O3/c28-14-13-24(34)32-16-18-5-1-2-6-20(18)26-25(21-7-3-4-8-23(21)32)30-31-33(26)19-11-9-17(10-12-19)15-22(29)27(35)36/h1-12,22H,13-16,28-29H2,(H,35,36)/t22-/m0/s1
Definition date:	2016-02-03
Last modified:	2023-11-03
Release date:	2016-07-13
Identifier:	4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine

ESB

ESB
Name:	3-[(3E)-3-(ETHYLIMINO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE
Formula:	C11 H14 N2 O4
SMILES:	O=C1C=C(O)/C(=N/CC)C=C1CC(C(=O)O)N
InChi:	InChI=1S/C11H14N2O4/c1-2-13-8-4-6(3-7(12)11(16)17)9(14)5-10(8)15/h4-5,7,15H,2-3,12H2,1H3,(H,16,17)/b13-8+/t7-/m0/s1
Definition date:	2008-04-03
Last modified:	2023-11-03
Identifier:	3-[(3E)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

69P

69P
Name:	6-piperazin-1-yl-9H-purine
Formula:	C9 H12 N6
SMILES:	n2cnc1c(ncn1)c2N3CCNCC3
InChi:	InChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-7-8(12-5-11-7)13-6-14-9/h5-6,10H,1-4H2,(H,11,12,13,14)
Definition date:	2010-05-26
Last modified:	2023-11-03
Identifier:	6-(piperazin-1-yl)-9H-purine

6A0

6A0
Name:	(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
Formula:	C8 H16 N2 O4
SMILES:	NC(C(O)=O)CCCCCC(NO)=O
InChi:	InChI=1S/C8H16N2O4/c9-6(8(12)13)4-2-1-3-5-7(11)10-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2016-02-24
Last modified:	2023-11-03
Release date:	2016-05-11
Identifier:	(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid

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