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ESD

ESD
Name:	(2-AMINO-ETHYLSULFANYL)-ACETIC ACID
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)CSCCN
InChi:	InChI=1S/C4H9NO2S/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)
Definition date:	2001-10-18
Last modified:	2024-09-27
Identifier:	[(2-aminoethyl)sulfanyl]acetic acid

ESS

ESS
Name:	(1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C21 H36 N4 O10 S2
SMILES:	O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:	InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19+/m0/s1
Definition date:	2021-12-10
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(1R,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

ESY

ESY
Name:	benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate
Formula:	C32 H43 N3 O8
SMILES:	O=CC(C(C)CC)C(O)C(=O)NCCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc2ccccc2)C
InChi:	InChI=1S/C32H43N3O8/c1-4-22(2)26(19-36)28(37)30(39)33-18-12-11-17-27(31(40)42-20-24-13-7-5-8-14-24)35-29(38)23(3)34-32(41)43-21-25-15-9-6-10-16-25/h5-10,13-16,19,22-23,26-28,37H,4,11-12,17-18,20-21H2,1-3H3,(H,33,39)(H,34,41)(H,35,38)/t22-,23-,26-,27-,28+/m0/s1
Definition date:	2006-02-06
Last modified:	2024-09-27
Identifier:	benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate

ET5

ET5
Name:	(3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid
Formula:	C10 H14 N4 O7 S
SMILES:	NC[CH]1C=C([CH](CN1C(O)=O)NO[S](O)(=O)=O)c2ocnc2
InChi:	InChI=1S/C10H14N4O7S/c11-2-6-1-7(9-3-12-5-20-9)8(4-14(6)10(15)16)13-21-22(17,18)19/h1,3,5-6,8,13H,2,4,11H2,(H,15,16)(H,17,18,19)/t6-,8-/m0/s1
Definition date:	2018-04-11
Last modified:	2024-09-27
Release date:	2019-05-22
Identifier:	(3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid

ET6

ET6
Name:	(1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C21 H36 N4 O10 S2
SMILES:	O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:	InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19-/m0/s1
Definition date:	2021-12-10
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

ETA

ETA
Name:	ETHANOLAMINE
Formula:	C2 H7 N O
SMILES:	OCCN
InChi:	InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-aminoethanol

ETM

ETM
Name:	2-(TRIMETHYLAMMONIUM)ETHYL THIOL
Formula:	C5 H14 N S
SMILES:	SCC[N+](C)(C)C
InChi:	InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
Definition date:	2003-09-26
Last modified:	2024-09-27
Identifier:	N,N,N-trimethyl-2-sulfanylethanaminium

ETP

ETP
Name:	3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
Formula:	C16 H14 B N O6 S3
SMILES:	O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:	InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
Definition date:	2000-12-07
Last modified:	2024-09-27
Identifier:	[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid

EU0

EU0
Name:	1-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]guanidine
Formula:	C6 H14 N3 O2
SMILES:	CC(C)[CH](NC(N)=[NH2+])C(O)=O
InChi:	InChI=1S/C6H13N3O2/c1-3(2)4(5(10)11)9-6(7)8/h3-4H,1-2H3,(H,10,11)(H4,7,8,9)/p+1/t4-/m0/s1
Definition date:	2022-01-13
Last modified:	2024-09-27
Release date:	2023-05-10
Identifier:	[azanyl-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]methylidene]azanium

EUF

EUF
Name:	2-(ethyldisulfanyl)-1,3-benzothiazole
Formula:	C9 H9 N S3
SMILES:	CCSSc1sc2ccccc2n1
InChi:	InChI=1S/C9H9NS3/c1-2-11-13-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
Definition date:	2020-01-27
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	2-(ethyldisulfanyl)-1,3-benzothiazole

EUP

EUP
Name:	4-amino-L-allothreonine
Formula:	C4 H10 N2 O3
SMILES:	NC(C(=O)O)C(O)CN
InChi:	InChI=1S/C4H10N2O3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,5-6H2,(H,8,9)/t2-,3-/m0/s1
Definition date:	2018-02-01
Last modified:	2024-09-27
Release date:	2018-04-18
Identifier:	4-amino-L-allothreonine

EUW

EUW
Name:	2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide
Formula:	C28 H29 Cl N8 O4
SMILES:	CCC(=O)NCCNC1=C(NCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C(=O)C1=O
InChi:	InChI=1S/C28H29ClN8O4/c1-3-21(38)31-12-13-32-22-23(25(40)24(22)39)33-14-16-8-10-17(11-9-16)35-28-34-15-19(29)26(37-28)36-20-7-5-4-6-18(20)27(41)30-2/h4-11,15,32-33H,3,12-14H2,1-2H3,(H,30,41)(H,31,38)(H2,34,35,36,37)
Definition date:	2018-04-19
Last modified:	2024-09-27
Release date:	2019-05-01
Identifier:	2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide

EW9

EW9
Name:	(1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C27 H46 N4 O10 S
SMILES:	O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)OC(C)(C)C)C1)C(O)S(=O)(=O)O
InChi:	InChI=1S/C27H46N4O10S/c1-16(2)12-19(22(33)29-20(23(34)42(37,38)39)13-17-6-9-28-21(17)32)30-24(35)40-18-14-27(15-18)7-10-31(11-8-27)25(36)41-26(3,4)5/h16-20,23,34H,6-15H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)(H,37,38,39)/t17-,19-,20-,23-/m0/s1
Definition date:	2021-12-14
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

EWA

EWA
Name:	[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID
Formula:	C11 H16 B N O5
SMILES:	O=C(c1c(OC)cccc1OC)NC(B(O)O)C
InChi:	InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1
Definition date:	2010-07-21
Last modified:	2024-09-27
Identifier:	[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid

EWB

EWB
Name:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
Formula:	C16 H19 B N O4
SMILES:	O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C
InChi:	InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
Definition date:	2010-07-07
Last modified:	2024-09-27
Identifier:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)

EX8

EX8
Name:	(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde
Formula:	C5 H8 F N O3
SMILES:	O[CH]1CN[CH]([CH]1F)C(O)=O
InChi:	InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1
Definition date:	2018-05-03
Last modified:	2024-09-27
Release date:	2018-07-11
Identifier:	(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

EXA

EXA
Name:	N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine
Formula:	C17 H27 N4 O9 P
SMILES:	Oc1c(C(N=C(/C)C(=O)O)NCCCCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C17H27N4O9P/c1-9-14(22)13(11(7-20-9)8-30-31(27,28)29)15(21-10(2)16(23)24)19-6-4-3-5-12(18)17(25)26/h7,12,15,19,22H,3-6,8,18H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/b21-10+/t12-,15+/m0/s1
Definition date:	2017-03-01
Last modified:	2024-09-27
Release date:	2018-03-07
Identifier:	N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine

EXB

EXB
Name:	3-(1H-benzimidazol-1-yl)propanoic acid
Formula:	C10 H10 N2 O2
SMILES:	O=C(O)CCn1c2ccccc2nc1
InChi:	InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)
Definition date:	2008-11-12
Last modified:	2024-09-27
Identifier:	3-(1H-benzimidazol-1-yl)propanoic acid

EXL

EXL
Name:	1-Methyl-L-tryptophan
Formula:	C12 H14 N2 O2
SMILES:	Cn1cc(C[CH](N)C(O)=O)c2ccccc12
InChi:	InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
Synonyms:	(2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
Definition date:	2020-02-14
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	(2~{S})-2-azanyl-3-(1-methylindol-3-yl)propanoic acid

EYC

EYC
Name:	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}
Formula:	C18 H14 Cl2 N2 O8 S2
SMILES:	O=C(CCl)Nc2ccc(C#Cc1c(cc(cc1)NC(=O)CCl)S(=O)(=O)O)c(c2)S(O)(=O)=O
InChi:	InChI=1S/C18H14Cl2N2O8S2/c19-9-17(23)21-13-5-3-11(15(7-13)31(25,26)27)1-2-12-4-6-14(22-18(24)10-20)8-16(12)32(28,29)30/h3-8H,9-10H2,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)
Definition date:	2015-07-07
Last modified:	2024-09-27
Release date:	2016-03-30
Identifier:	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}

EYG

EYG
Name:	{(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid
Formula:	C16 H21 N3 O5 S
SMILES:	O=C(O)CN1C(=O)/C(NC1(O)C(N)CCSC)=C/c2ccc(O)cc2
InChi:	InChI=1S/C16H21N3O5S/c1-25-7-6-13(17)16(24)18-12(15(23)19(16)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,13,18,20,24H,6-7,9,17H2,1H3,(H,21,22)/b12-8-/t13-,16-/m1/s1
Synonyms:	CHROMOPHORE (MET-TYR-GLY)
Definition date:	2010-08-24
Last modified:	2024-09-27
Identifier:	[(2R,4Z)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid

EYZ

EYZ
Name:	(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
Formula:	C16 H22 N2 O5 S
SMILES:	N[CH](CCCCNC(=O)C[CH](Sc1ccccc1)C(O)=O)C(O)=O
InChi:	InChI=1S/C16H22N2O5S/c17-12(15(20)21)8-4-5-9-18-14(19)10-13(16(22)23)24-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,17H2,(H,18,19)(H,20,21)(H,22,23)/t12-,13+/m0/s1
Definition date:	2018-05-08
Last modified:	2024-09-27
Release date:	2018-05-16
Identifier:	(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid

EZY

EZY
Name:	N-[(2-nitrophenyl)methyl]glycine
Formula:	C9 H10 N2 O4
SMILES:	N(CC(=O)O)Cc1c(N(=O)=O)cccc1
InChi:	InChI=1S/C9H10N2O4/c12-9(13)6-10-5-7-3-1-2-4-8(7)11(14)15/h1-4,10H,5-6H2,(H,12,13)
Synonyms:	2-nitrobenzylglycine
Definition date:	2018-02-20
Last modified:	2024-09-27
Release date:	2018-05-16
Identifier:	N-[(2-nitrophenyl)methyl]glycine

F0D

F0D
Name:	3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
Formula:	C28 H34 Br N O2
SMILES:	c1cc(CCBr)cc2c1C3C(CC2)C4C(CC3)(C(O)C(C4)Cc5cc(ccc5)C(N)=O)C
InChi:	InChI=1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1
Definition date:	2018-02-22
Last modified:	2024-09-27
Release date:	2019-01-16
Identifier:	3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide

F15

F15
Name:	PENTADECANOIC ACID
Formula:	C15 H30 O2
SMILES:	O=C(O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
Definition date:	2004-11-16
Last modified:	2024-09-27
Identifier:	pentadecanoic acid

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