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4F3

4F3
Name:	[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(4-FLUORO-1H-INDOL-3-YLMETHYL)-5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID
Formula:	C17 H19 F N4 O4
SMILES:	O=C(O)Cn1c(O)c(nc1C(N)C(O)C)Cc3c2c(F)cccc2nc3
InChi:	InChI=1S/C17H19FN4O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-4,6,8,15,20,23,26H,5,7,19H2,1H3,(H,24,25)/t8-,15-/m0/s1
Definition date:	2003-12-16
Last modified:	2023-11-03
Identifier:	{2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-[(4-fluoro-1H-indol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}acetic acid

4FB

4FB
Name:	(4S)-4-FLUORO-L-PROLINE
Formula:	C5 H8 F N O2
SMILES:	O=C(O)C1NCC(F)C1
InChi:	InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
Definition date:	2007-06-06
Last modified:	2023-11-03
Identifier:	(4S)-4-fluoro-L-proline

4FO

4FO
Name:	(2R)-2,4-diaminobutanoic acid
Formula:	C4 H10 N2 O2
SMILES:	NC(CCN)C(=O)O
InChi:	InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1
Definition date:	2015-08-03
Last modified:	2023-11-03
Release date:	2016-09-21
Identifier:	(2R)-2,4-diaminobutanoic acid

4FU

4FU
Name:	(1R,2S)-cyclohexane-1,2-dicarboxylic acid
Formula:	C8 H12 O4
SMILES:	C(=O)(O)C1C(CCCC1)C(O)=O
InChi:	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
Definition date:	2015-08-04
Last modified:	2023-11-03
Release date:	2015-10-28
Identifier:	(1R,2S)-cyclohexane-1,2-dicarboxylic acid

4FW

4FW
Name:	4-FLUOROTRYPTOPHANE
Formula:	C11 H11 F N2 O2
SMILES:	O=C(O)C(N)Cc2c1c(F)cccc1nc2
InChi:	InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1
Definition date:	2003-12-16
Last modified:	2023-11-03
Identifier:	4-fluoro-L-tryptophan

4G6

4G6
Name:	2-methylpropane-1,2-diamine
Formula:	C4 H12 N2
SMILES:	CC(C)(N)CN
InChi:	InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
Definition date:	2015-08-04
Last modified:	2023-11-03
Release date:	2015-10-28
Identifier:	2-methylpropane-1,2-diamine

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

4HP

4HP
Name:	4-HYDROXYPHENYLACETATE
Formula:	C8 H8 O3
SMILES:	O=C(O)Cc1ccc(O)cc1
InChi:	InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(4-hydroxyphenyl)acetic acid

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

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

4J2

4J2
Name:	(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid
Formula:	C13 H13 N O2
SMILES:	NC(Cc1ccc2ccccc2c1)C(=O)O
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1
Definition date:	2015-09-17
Last modified:	2023-11-03
Release date:	2015-12-16
Identifier:	(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)

4J5

4J5
Name:	amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium
Formula:	C5 H13 N4 O2
SMILES:	OC(=O)C(N)CCNC(=[N@H2+])N
InChi:	InChI=1S/C5H12N4O2/c6-3(4(10)11)1-2-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1
Definition date:	2015-10-08
Last modified:	2023-11-03
Release date:	2018-12-12
Identifier:	amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium

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

4LJ

4LJ
Name:	1.7.6 3-bromanylpropan-1-amine
Formula:	C3 H8 Br N
SMILES:	NCCCBr
InChi:	InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2
Definition date:	2015-04-10
Last modified:	2023-11-03
Release date:	2015-09-16
Identifier:	3-bromanylpropan-1-amine

4LT

4LT
Name:	(2R)-2-fluoropropanoic acid
Formula:	C3 H5 F O2
SMILES:	C(C(C)F)(O)=O
InChi:	InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
Definition date:	2015-12-29
Last modified:	2023-11-03
Release date:	2016-11-02
Identifier:	(2R)-2-fluoropropanoic acid

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

4MM

4MM
Name:	N,N,N-trimethylmethionine
Formula:	C8 H18 N O2 S
SMILES:	CSCCC([N+](C)(C)C)C(=O)O
InChi:	InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1
Synonyms:	(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
Definition date:	2011-06-04
Last modified:	2023-11-03
Identifier:	(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium

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

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

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

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