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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

4E0

4E0
Name:	1-[butyl(fluoranyl)phosphoryl]oxyhexadecane
Formula:	C20 H42 F O2 P
SMILES:	CCCCCCCCCCCCCCCCO[P](F)(=O)CCCC
InChi:	InChI=1S/C20H42FO2P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(21,22)20-6-4-2/h3-20H2,1-2H3/t24-/m0/s1
Definition date:	2021-07-01
Last modified:	2024-09-27
Release date:	2021-09-15
Identifier:	1-[butyl(fluoranyl)phosphoryl]oxyhexadecane

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

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:	2024-09-27
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:	2024-09-27
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:	2024-09-27
Release date:	2015-10-28
Identifier:	2-methylpropane-1,2-diamine

4G9

4G9
Name:	2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
Formula:	C10 H12 Cl2 N2 O3 S
SMILES:	Clc1c(cc(cc1)NC(=O)CCl)S(=O)(N(C)C)=O
InChi:	InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

4GB

4GB
Name:	N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
Formula:	C17 H26 N2 O4 S2
SMILES:	O=S(c1ccc(OCSCC)c(c1)NC(=O)C)(=O)N2CCCCCC2
InChi:	InChI=1S/C17H26N2O4S2/c1-3-24-13-23-17-9-8-15(12-16(17)18-14(2)20)25(21,22)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20)
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide

4GG

4GG
Name:	2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide
Formula:	C15 H19 N3 O S
SMILES:	O=C(CSCC)N(C)Cc1cn(nc1)c2ccccc2
InChi:	InChI=1S/C15H19N3OS/c1-3-20-12-15(19)17(2)10-13-9-16-18(11-13)14-7-5-4-6-8-14/h4-9,11H,3,10,12H2,1-2H3
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide

4GJ

4GJ
Name:	3-(pyridin-4-yldisulfanyl)-L-alanine
Formula:	C8 H10 N2 O2 S2
SMILES:	n1ccc(SSCC(N)C(O)=O)cc1
InChi:	InChI=1S/C8H10N2O2S2/c9-7(8(11)12)5-13-14-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2015-07-15
Identifier:	3-(pyridin-4-yldisulfanyl)-L-alanine

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:	2024-09-27
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:	2024-09-27
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

4HJ

4HJ
Name:	O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine
Formula:	C21 H32 N3 O11 P S
SMILES:	NC(COP(O)(OCC(C)(C)C(C(NCCC(NCCSC(c1c(cccc1)O)=O)=O)=O)O)=O)C(=O)O
InChi:	InChI=1S/C21H32N3O11PS/c1-21(2,12-35-36(32,33)34-11-14(22)19(29)30)17(27)18(28)24-8-7-16(26)23-9-10-37-20(31)13-5-3-4-6-15(13)25/h3-6,14,17,25,27H,7-12,22H2,1-2H3,(H,23,26)(H,24,28)(H,29,30)(H,32,33)/t14-,17-/m0/s1
Definition date:	2015-09-08
Last modified:	2024-09-27
Release date:	2015-09-23
Identifier:	O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine

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