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4AC

4AC
Name:	N(4)-ACETYLCYTIDINE-5'-MONOPHOSPHATE
Formula:	C11 H16 N3 O9 P
SMILES:	O=C(NC1=NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)C
InChi:	InChI=1S/C11H16N3O9P/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(23-10)4-22-24(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1
Definition date:	2001-01-18
Last modified:	2024-09-27
Identifier:	N-acetylcytidine 5'-(dihydrogen phosphate)

4AF

4AF
Name:	4-ACETYL-L-PHENYLALANINE
Formula:	C11 H13 N O3
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=O)C
InChi:	InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
Synonyms:	P-ACETYLPHENYLALANINE
Definition date:	2005-05-04
Last modified:	2024-09-27
Identifier:	4-acetyl-L-phenylalanine

4AK

4AK
Name:	N~6~-sulfo-L-lysine
Formula:	C6 H14 N2 O5 S
SMILES:	O=S(=O)(O)NCCCCC(C(=O)O)N
InChi:	InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1
Definition date:	2015-02-20
Last modified:	2024-09-27
Release date:	2015-07-15
Identifier:	N~6~-sulfo-L-lysine

4AR

4AR
Name:	amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
Formula:	C16 H25 N4 O3
SMILES:	O=C(OCC(=O)C(N)CCCNC(=[NH2+])N)c1c(cccc1C)C
InChi:	InChI=1S/C16H24N4O3/c1-10-5-3-6-11(2)14(10)15(22)23-9-13(21)12(17)7-4-8-20-16(18)19/h3,5-6,12H,4,7-9,17H2,1-2H3,(H4,18,19,20)/p+1/t12-/m0/s1
Definition date:	2013-01-09
Last modified:	2024-09-27
Identifier:	amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium

4AW

4AW
Name:	4-AZATRYPTOPHAN
Formula:	C10 H11 N3 O2
SMILES:	O=C(O)C(N)Cc2c1ncccc1nc2
InChi:	InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1
Definition date:	2012-07-16
Last modified:	2024-09-27
Release date:	2013-05-29
Identifier:	3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine

4AY

4AY
Name:	4-(bromomethyl)benzoic acid
Formula:	C8 H7 Br O2
SMILES:	BrCc1ccc(C(=O)O)cc1
InChi:	InChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
Definition date:	2015-02-21
Last modified:	2024-09-27
Release date:	2016-03-02
Identifier:	4-(bromomethyl)benzoic acid

4BA

4BA
Name:	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BENZOIC ACID
Formula:	C11 H13 N O4
SMILES:	O=C(O)c1ccc(cc1)CNCCC(=O)O
InChi:	InChI=1S/C11H13NO4/c13-10(14)5-6-12-7-8-1-3-9(4-2-8)11(15)16/h1-4,12H,5-7H2,(H,13,14)(H,15,16)
Definition date:	2000-08-08
Last modified:	2024-09-27
Identifier:	4-{[(2-carboxyethyl)amino]methyl}benzoic acid

4BF

4BF
Name:	4-BROMO-L-PHENYLALANINE
Formula:	C9 H10 Br N O2
SMILES:	Brc1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Synonyms:	P-BROMO-L-PHENYLALANINE
Definition date:	2005-08-22
Last modified:	2024-09-27
Identifier:	4-bromo-L-phenylalanine

4C9

4C9
Name:	(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
Formula:	C30 H33 N7 O2
SMILES:	N#CC(C(=O)N5CCCC(n2nc(c1c(ncnc12)N)c4ccc(Oc3ccccc3)cc4)C5)CC(C)(C)C
InChi:	InChI=1S/C30H33N7O2/c1-30(2,3)16-21(17-31)29(38)36-15-7-8-22(18-36)37-28-25(27(32)33-19-34-28)26(35-37)20-11-13-24(14-12-20)39-23-9-5-4-6-10-23/h4-6,9-14,19,21-22H,7-8,15-16,18H2,1-3H3,(H2,32,33,34)/t21-,22-/m1/s1
Definition date:	2015-02-27
Last modified:	2024-09-27
Release date:	2015-05-13
Identifier:	(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile

4CB

4CB
Name:	4-CARBOXYPHENYLBORONIC ACID
Formula:	C7 H7 B O4
SMILES:	O=C(O)c1ccc(B(O)O)cc1
InChi:	InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
Definition date:	2001-11-20
Last modified:	2024-09-27
Identifier:	4-(dihydroxyboranyl)benzoic acid

4CF

4CF
Name:	4-cyano-L-phenylalanine
Formula:	C10 H10 N2 O2
SMILES:	O=C(O)C(N)Cc1ccc(C#N)cc1
InChi:	InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2010-09-07
Last modified:	2024-09-27
Identifier:	4-cyano-L-phenylalanine

4CG

4CG
Name:	(1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid
Formula:	C9 H16 N O6 P
SMILES:	C1(/C(CCC1)C(=O)O)=C/C(COP(O)(O)=O)N
InChi:	InChI=1S/C9H16NO6P/c10-7(5-16-17(13,14)15)4-6-2-1-3-8(6)9(11)12/h4,7-8H,1-3,5,10H2,(H,11,12)(H2,13,14,15)/b6-4-/t7-,8-/m1/s1
Definition date:	2015-02-27
Last modified:	2024-09-27
Release date:	2015-09-16
Identifier:	(1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid

4CI

4CI
Name:	N-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide
Formula:	C21 H13 N O5 S
SMILES:	Oc1ccc2c(Oc3cc(O)ccc3[C]24OC(=O)c5cc(NC=S)ccc45)c1
InChi:	InChI=1S/C21H13NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-10,23-24H,(H,22,28)
Definition date:	2021-07-27
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	~{N}-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide

4CY

4CY
Name:	nitrilo-L-methionine
Formula:	C5 H8 N2 O2 S
SMILES:	N#CSCCC(C(=O)O)N
InChi:	InChI=1S/C5H8N2O2S/c6-3-10-2-1-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1
Definition date:	2010-09-07
Last modified:	2024-09-27
Identifier:	nitrilo-L-methionine

4D4

4D4
Name:	(2S,3R)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid
Formula:	C6 H14 N4 O3
SMILES:	C(O)(=O)C(C(CCN/C(N)=N)O)N
InChi:	InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4+/m1/s1
Definition date:	2015-03-02
Last modified:	2024-09-27
Release date:	2015-03-18
Identifier:	(2S,3R)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name)

4D6

4D6
Name:	Vaborbactam
Formula:	C12 H16 B N O5 S
SMILES:	c2ccc(CC(NC1CCC(OB1O)CC(=O)O)=O)s2
InChi:	InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
Synonyms:	{(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid
Definition date:	2015-03-03
Last modified:	2024-09-27
Release date:	2015-04-01
Identifier:	{(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid

4DB

4DB
Name:	(2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid
Formula:	C14 H17 N3 O4
SMILES:	O=C(O)C(N)CCN2C(=O)c1ccc(cc1C2=O)N(C)C
InChi:	InChI=1S/C14H17N3O4/c1-16(2)8-3-4-9-10(7-8)13(19)17(12(9)18)6-5-11(15)14(20)21/h3-4,7,11H,5-6,15H2,1-2H3,(H,20,21)/t11-/m0/s1
Definition date:	2009-09-23
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid

4DP

4DP
Name:	3-[5-(DIMETHYLAMINO)-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-ALANINE
Formula:	C13 H15 N3 O4
SMILES:	O=C(O)C(N)CN2C(=O)c1ccc(cc1C2=O)N(C)C
InChi:	InChI=1S/C13H15N3O4/c1-15(2)7-3-4-8-9(5-7)12(18)16(11(8)17)6-10(14)13(19)20/h3-5,10H,6,14H2,1-2H3,(H,19,20)/t10-/m0/s1
Synonyms:	4-(N,N-DIMETHYLAMINO)PHTHALIMIDOALANYL
Definition date:	2006-10-25
Last modified:	2024-09-27
Identifier:	3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-L-alanine

4DS

4DS
Name:	4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid
Formula:	C16 H10 N2 O6 S4
SMILES:	O=S(=O)(O)c1cc(N=C=S)ccc1C=Cc2ccc(N=C=S)cc2S(=O)(=O)O
InChi:	InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+
Definition date:	2014-01-16
Last modified:	2024-09-27
Release date:	2014-03-05
Identifier:	5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

4E4

4E4
Name:	2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide
Formula:	C13 H20 N2 O2
SMILES:	C(C)C(CO)(C(=O)Nc1cnc(C)cc1)CC
InChi:	InChI=1S/C13H20N2O2/c1-4-13(5-2,9-16)12(17)15-11-7-6-10(3)14-8-11/h6-8,16H,4-5,9H2,1-3H3,(H,15,17)
Definition date:	2015-03-06
Last modified:	2024-09-27
Release date:	2016-06-29
Identifier:	2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide

4EM

4EM
Name:	(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate
Formula:	C16 H27 N4 O8 P
SMILES:	P(OCC(C(C(NCCC(=O)NCCNC(=O)c1cccn1)=O)O)(C)C)(O)(O)=O
InChi:	InChI=1S/C16H27N4O8P/c1-16(2,10-28-29(25,26)27)13(22)15(24)19-7-5-12(21)18-8-9-20-14(23)11-4-3-6-17-11/h3-4,6,13,17,22H,5,7-10H2,1-2H3,(H,18,21)(H,19,24)(H,20,23)(H2,25,26,27)/t13-/m0/s1
Definition date:	2015-07-21
Last modified:	2024-09-27
Release date:	2015-09-16
Identifier:	(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate

4EY

4EY
Name:	3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium
Formula:	C12 H15 N O8 P S2
SMILES:	O=C(S)c1cc(c[n+](c1)C1OC(COP(=O)(O)O)C(O)C1O)C=S
InChi:	InChI=1S/C12H14NO8PS2/c14-9-8(4-20-22(17,18)19)21-11(10(9)15)13-2-6(5-23)1-7(3-13)12(16)24/h1-3,5,8-11,14-15H,4H2,(H2-,16,17,18,19,24)/p+1/t8-,9-,10-,11-/m1/s1
Synonyms:	Dithiodinicotinic acid mononucleotide
Definition date:	2015-03-13
Last modified:	2024-09-27
Release date:	2015-07-15
Identifier:	3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium

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:	2024-09-27
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:	2024-09-27
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:	2024-09-27
Release date:	2016-09-21
Identifier:	(2R)-2,4-diaminobutanoic acid

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