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DYS

DYS
Name:	S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine
Formula:	C11 H16 N2 O4 S
SMILES:	O=C(O)C(N)CSc1cc(cc(O)c1O)CCN
InChi:	InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1
Definition date:	2007-10-08
Last modified:	2024-09-27
Identifier:	S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine

DYW

DYW
Name:	(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid
Formula:	C9 H14 N2 O5
SMILES:	N[CH](CC(O)=O)C(=O)N1CCC[CH]1C(O)=O
InChi:	InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1
Definition date:	2018-02-05
Last modified:	2024-09-27
Release date:	2018-08-08
Identifier:	(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

DZK

DZK
Name:	(2~{S})-2-(phenylmethylsulfanyl)butanedioic acid
Formula:	C11 H12 O4 S
SMILES:	OC(=O)C[CH](SCc1ccccc1)C(O)=O
InChi:	InChI=1S/C11H12O4S/c12-10(13)6-9(11(14)15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
Definition date:	2018-02-06
Last modified:	2024-09-27
Release date:	2018-03-21
Identifier:	(2~{S})-2-(phenylmethylsulfanyl)butanedioic acid

E03

E03
Name:	6-FLUORO-D-TRYPTOPHAN
Formula:	C11 H11 F N2 O2
SMILES:	N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O
InChi:	InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1
Synonyms:	(2R)-2-azanyl-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid
Definition date:	2019-09-27
Last modified:	2024-09-27
Release date:	2019-10-16
Identifier:	(2~{R})-2-azanyl-3-(6-fluoranyl-1~{H}-indol-3-yl)propanoic acid

E06

E06
Name:	[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula:	C9 H11 B F2 N O4
SMILES:	C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O
InChi:	InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m0/s1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron

E07

E07
Name:	TRIHYDROXY-[(1S)-1-[[2-(PHENYLMETHYL)PHENYL]CARBONYLAMINO]ETHYL]BORON
Formula:	C16 H19 B N O4
SMILES:	C[CH](NC(=O)c1ccccc1Cc2ccccc2)[B](O)(O)O
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:	2010-12-15
Last modified:	2024-09-27
Identifier:	trihydroxy-[(1S)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron

E08

E08
Name:	TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON
Formula:	C12 H19 B N O4
SMILES:	CC(C)c1ccccc1C(=O)N[CH](C)[B-](O)(O)O
InChi:	InChI=1S/C12H19BNO4/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16,17)18/h4-9,16-18H,1-3H3,(H,14,15)/q-1/t9-/m1/s1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	trihydroxy-[(1S)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron

E0J

E0J
Name:	2-[(4-methoxy-2-methylphenoxy)methyl]pyridine
Formula:	C14 H15 N O2
SMILES:	c1(ccc(c(C)c1)OCc2ccccn2)OC
InChi:	InChI=1S/C14H15NO2/c1-11-9-13(16-2)6-7-14(11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3
Definition date:	2017-11-20
Last modified:	2024-09-27
Release date:	2018-09-05
Identifier:	2-[(4-methoxy-2-methylphenoxy)methyl]pyridine

E0Y

E0Y
Name:	(3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline
Formula:	C15 H27 N3 O4 S
SMILES:	O=C(O)C1C(CC(N1)C(C(O)C)CO)SC2CN(CC2)/C(=N)C
InChi:	InChI=1S/C15H27N3O4S/c1-8(20)11(7-19)12-5-13(14(17-12)15(21)22)23-10-3-4-18(6-10)9(2)16/h8,10-14,16-17,19-20H,3-7H2,1-2H3,(H,21,22)/b16-9+/t8-,10-,11-,12-,13+,14+/m1/s1
Definition date:	2017-11-22
Last modified:	2024-09-27
Release date:	2018-04-11
Identifier:	(3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline

E1H

E1H
Name:	ETHANIMINE
Formula:	C2 H5 N
SMILES:	[N@H]=CC
InChi:	InChI=1S/C2H5N/c1-2-3/h2-3H,1H3/b3-2-
Definition date:	2006-02-24
Last modified:	2024-09-27
Identifier:	(1Z)-ethanimine

E1J

E1J
Name:	N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide
Formula:	C21 H30 N6 O3
SMILES:	c21c(cc(c(c1)OCCN)OC)c(NCCCNC([C@H]=C)=O)nc(n2)N3CCCC3
InChi:	InChI=1S/C21H30N6O3/c1-3-19(28)23-8-6-9-24-20-15-13-17(29-2)18(30-12-7-22)14-16(15)25-21(26-20)27-10-4-5-11-27/h3,13-14H,1,4-12,22H2,2H3,(H,23,28)(H,24,25,26)
Definition date:	2017-11-22
Last modified:	2024-09-27
Release date:	2019-05-01
Identifier:	N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide

E1X

E1X
Name:	PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]ESTER
Formula:	C12 H17 N4 O8 P
SMILES:	O=C3Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3CC
InChi:	InChI=1S/C12H17N4O8P/c1-2-15-11(18)9-10(14-12(15)19)16(5-13-9)8-3-6(17)7(24-8)4-23-25(20,21)22/h5-8,17H,2-4H2,1H3,(H,14,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
Synonyms:	N1-ETHYL-2'-DEOXYXANTHOSINE 5'-MONOPHOSPHATE
Definition date:	2004-05-06
Last modified:	2024-09-27
Identifier:	2'-deoxy-1-ethylxanthosine 5'-(dihydrogen phosphate)

E2A

E2A
Name:	~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Formula:
SMILES:	COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OCc2ccccc2
InChi:	InChI=1S/C17H20O5/c1-17(16(20)21-2)9-8-14(18)13(10-17)15(19)22-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17+/m1/s1
Definition date:	2023-07-18
Last modified:	2024-09-27
Release date:	2024-07-24
Identifier:	~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate

E2G

E2G
Name:	(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
Formula:	C15 H20 N6 O3
SMILES:	C(NC(C(N)O)=O)c1nnc(C)n1c2c(cccc2)CNC(C)=O
InChi:	InChI=1S/C15H20N6O3/c1-9-19-20-13(8-18-15(24)14(16)23)21(9)12-6-4-3-5-11(12)7-17-10(2)22/h3-6,14,23H,7-8,16H2,1-2H3,(H,17,22)(H,18,24)/t14-/m1/s1
Definition date:	2017-11-27
Last modified:	2024-09-27
Release date:	2017-12-27
Identifier:	(2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide

E2V

E2V
Name:	(2R)-2-(hexadecanoyloxy)propyl nonadecanoate
Formula:	C38 H74 O4
SMILES:	C(CCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCCCC)=O)C)CCCCCCCCC
InChi:	InChI=1S/C38H74O4/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(39)41-35-36(3)42-38(40)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h36H,4-35H2,1-3H3/t36-/m1/s1
Definition date:	2017-11-29
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	(2R)-2-(hexadecanoyloxy)propyl nonadecanoate

E3A

E3A
Name:	1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione
Formula:	C19 H17 F N4 O4
SMILES:	N4(CC3C(c1nn(cc1)c2ccc(cc2)F)C3C4)C(ON5C(CCC5=O)=O)=O
InChi:	InChI=1S/C19H17FN4O4/c20-11-1-3-12(4-2-11)23-8-7-15(21-23)18-13-9-22(10-14(13)18)19(27)28-24-16(25)5-6-17(24)26/h1-4,7-8,13-14,18H,5-6,9-10H2/t13-,14+,18+
Definition date:	2017-11-29
Last modified:	2024-09-27
Release date:	2018-03-14
Identifier:	1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione

E3J

E3J
Name:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide
Formula:	C13 H18 N2 O2 S
SMILES:	Sc1ccccc1C(=O)NCCN2CCOCC2
InChi:	InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16)
Definition date:	2021-12-23
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide

E47

E47
Name:	5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde
Formula:	C17 H16 N4 O3
SMILES:	Oc1ccc(cc1C=O)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:	InChI=1S/C17H16N4O3/c22-9-12-7-11(1-2-14(12)23)13-8-18-16-15(13)17(20-10-19-16)21-3-5-24-6-4-21/h1-2,7-10,23H,3-6H2,(H,18,19,20)
Definition date:	2023-06-13
Last modified:	2024-09-27
Release date:	2023-10-18
Identifier:	5-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde

E5X

E5X
Name:	4-(hydroxymethyl)benzoic acid
Formula:	C8 H8 O3
SMILES:	OCc1ccc(cc1)C(O)=O
InChi:	InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
Definition date:	2019-10-24
Last modified:	2024-09-27
Release date:	2020-07-15
Identifier:	4-(hydroxymethyl)benzoic acid

E62

E62
Name:	(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Formula:	C20 H27 N O6
SMILES:	CC1C(OC(c2c(C=CCC(C(C(CC1)=O)O)O)cc(NC)cc2O)=O)C
InChi:	InChI=1S/C20H27NO6/c1-11-7-8-16(23)19(25)15(22)6-4-5-13-9-14(21-3)10-17(24)18(13)20(26)27-12(11)2/h4-5,9-12,15,19,21-22,24-25H,6-8H2,1-3H3/b5-4+/t11-,12+,15+,19+/m1/s1
Definition date:	2016-02-08
Last modified:	2024-09-27
Release date:	2017-05-03
Identifier:	(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

E64

E64
Name:	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Formula:	C15 H30 N5 O5
SMILES:	O=C(O)CC(O)C(=O)NC(C(=O)NCCCCNC(=[NH2+])N)CC(C)C
InChi:	InChI=1S/C15H29N5O5/c1-9(2)7-10(20-14(25)11(21)8-12(22)23)13(24)18-5-3-4-6-19-15(16)17/h9-11,21H,3-8H2,1-2H3,(H,18,24)(H,20,25)(H,22,23)(H4,16,17,19)/p+1/t10-,11-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	amino{[4-({N-[(2S)-3-carboxy-2-hydroxypropanoyl]-L-leucyl}amino)butyl]amino}methaniminium

E69

E69
Name:	N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide
Formula:	C26 H49 N11 O6
SMILES:	O=C(N)C1N(C(=O)C(NC(=O)CC(O)C(=O)NC(C(=O)NCCCCNC(=[N@H])N)CC(C)C)CCCNC(=[N@H])N)CCC1
InChi:	InChI=1S/C26H49N11O6/c1-15(2)13-17(22(41)32-9-3-4-10-33-25(28)29)36-23(42)19(38)14-20(39)35-16(7-5-11-34-26(30)31)24(43)37-12-6-8-18(37)21(27)40/h15-19,38H,3-14H2,1-2H3,(H2,27,40)(H,32,41)(H,35,39)(H,36,42)(H4,28,29,33)(H4,30,31,34)/t16-,17+,18-,19-/m0/s1
Definition date:	2014-05-15
Last modified:	2024-09-27
Release date:	2014-11-05
Identifier:	N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide

E6C

E6C
Name:	N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE
Formula:	C15 H28 N2 O5
SMILES:	O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CC(C)C
InChi:	InChI=1S/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-hydroxy-4-({(1S)-3-methyl-1-[(3-methylbutyl)carbamoyl]butyl}amino)-4-oxobutanoic acid

E6D

E6D
Name:	ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Formula:	C17 H32 N2 O5
SMILES:	CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(O)CC(=O)OCC
InChi:	InChI=1S/C17H32N2O5/c1-6-24-15(21)10-14(20)17(23)19-13(9-12(4)5)16(22)18-8-7-11(2)3/h11-14,20H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
Definition date:	2015-12-01
Last modified:	2024-09-27
Release date:	2016-04-13
Identifier:	ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate

E6F

E6F
Name:	(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid
Formula:	C7 H13 N O2
SMILES:	N[CH]1CCCC[CH]1C(O)=O
InChi:	InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
Definition date:	2019-10-29
Last modified:	2024-09-27
Release date:	2020-09-02
Identifier:	(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid

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