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9HA

9HA
Name:	benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
Formula:	C30 H47 N5 O7
SMILES:	CC(=O)N(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)CC1CCCCC1
InChi:	InChI=1S/C30H47N5O7/c1-20(42-30(3,4)5)26(33-29(40)41-19-23-14-10-7-11-15-23)28(39)32-24(18-22-12-8-6-9-13-22)27(38)34-35(21(2)36)17-16-25(31)37/h7,10-11,14-15,20,22,24,26H,6,8-9,12-13,16-19H2,1-5H3,(H2,31,37)(H,32,39)(H,33,40)(H,34,38)/t20-,24+,26+/m1/s1
Definition date:	2021-10-13
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)

9HB

9HB
Name:	Dimethyl fumarate
Formula:	C6 H10 O4
SMILES:	COC(=O)CCC(=O)OC
InChi:	InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
Definition date:	2017-05-19
Last modified:	2024-09-27
Release date:	2018-05-30
Identifier:	dimethyl butanedioate

9HC

9HC
Name:	[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate
Formula:	C16 H15 Br N O6 P
SMILES:	Cc1ncc(CO[P]([O-])([O-])=O)c(CCC(=O)c2ccc(Br)cc2)c1O
InChi:	InChI=1S/C16H17BrNO6P/c1-10-16(20)14(12(8-18-10)9-24-25(21,22)23)6-7-15(19)11-2-4-13(17)5-3-11/h2-5,8,20H,6-7,9H2,1H3,(H2,21,22,23)/p-2
Definition date:	2015-12-17
Last modified:	2024-09-27
Release date:	2016-03-02
Identifier:	[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate

9HY

9HY
Name:	N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide
Formula:	C27 H24 N4 O5
SMILES:	CC(=O)N(C)c1c4ccc(C#N)cc4c(C)c(c1)Oc2c(cccc2)OCCN3C(NC(C=C3)=O)=O
InChi:	InChI=1S/C27H24N4O5/c1-17-21-14-19(16-28)8-9-20(21)22(30(3)18(2)32)15-25(17)36-24-7-5-4-6-23(24)35-13-12-31-11-10-26(33)29-27(31)34/h4-11,14-15H,12-13H2,1-3H3,(H,29,33,34)
Definition date:	2017-05-12
Last modified:	2024-09-27
Release date:	2017-08-23
Identifier:	N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide

9IJ

9IJ
Name:	2-cyano-L-phenylalanine
Formula:	C10 H10 N2 O2
SMILES:	NC(Cc1ccccc1C#N)C(=O)O
InChi:	InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2021-10-18
Last modified:	2024-09-27
Release date:	2022-05-11
Identifier:	2-cyano-L-phenylalanine

9IN

9IN
Name:	N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
Formula:	C32 H49 N5 O8
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)CC(C)C)C(C)C)C(C)C)c2ccoc2
InChi:	InChI=1S/C32H49N5O8/c1-8-45-25(38)10-9-23(16-21-11-13-33-28(21)39)34-30(41)24(15-18(2)3)35-31(42)26(19(4)5)37-32(43)27(20(6)7)36-29(40)22-12-14-44-17-22/h9-10,12,14,17-21,23-24,26-27H,8,11,13,15-16H2,1-7H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)(H,37,43)/b10-9+/t21-,23+,24-,26-,27-/m0/s1
Synonyms:	(E)-(4S,6S)-6-((S)-2-{(S)-2-[(FURAN-2-CARBONYL)-AMINO]-3-METHYL-BUTYRYLAMINO}-3-METHYL-BUTYRYLAMINO)-8-METHYL-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID ETHYL ESTER
Definition date:	2005-08-22
Last modified:	2024-09-27
Identifier:	N-(furan-3-ylcarbonyl)-L-valyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-en-1-yl]-L-leucinamide

9IX

9IX
Name:	2-methyl-5-(propan-2-yl)benzene-1,4-diol
Formula:	C10 H14 O2
SMILES:	CC(C)c1cc(O)c(C)cc1O
InChi:	InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3
Synonyms:	Thymoquinone
Definition date:	2021-10-18
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	2-methyl-5-(propan-2-yl)benzene-1,4-diol

9J1

9J1
Name:	N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide
Formula:	C28 H26 N4 O5
SMILES:	N1(C=CC(NC1=O)=O)CCOc2c(cccc2)Oc3cc(N(C(=O)CC)C)c4c(c3C)cc(cc4)C#N
InChi:	InChI=1S/C28H26N4O5/c1-4-27(34)31(3)22-16-25(18(2)21-15-19(17-29)9-10-20(21)22)37-24-8-6-5-7-23(24)36-14-13-32-12-11-26(33)30-28(32)35/h5-12,15-16H,4,13-14H2,1-3H3,(H,30,33,35)
Definition date:	2017-05-12
Last modified:	2024-09-27
Release date:	2017-08-23
Identifier:	N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide

9J3

9J3
Name:	4-ethoxy-4-oxobutanoic acid
Formula:	C6 H10 O4
SMILES:	OC(=O)CCC(=O)OCC
InChi:	InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
Definition date:	2018-05-02
Last modified:	2024-09-27
Release date:	2018-09-12
Identifier:	4-ethoxy-4-oxobutanoic acid

9JC

9JC
Name:	4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde
Formula:	C11 H11 N3 O2
SMILES:	NCc1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16)
Definition date:	2021-11-15
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	4-(aminomethyl)-8-azanyl-quinoline-2-carboxylic acid

9JK

9JK
Name:	~{N}-phenyl-2-sulfanyl-benzamide
Formula:	C13 H11 N O S
SMILES:	Sc1ccccc1C(=O)Nc2ccccc2
InChi:	InChI=1S/C13H11NOS/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)
Definition date:	2017-05-25
Last modified:	2024-09-27
Release date:	2018-06-13
Identifier:	~{N}-phenyl-2-sulfanyl-benzamide

9JT

9JT
Name:	N-phenyl-2-selanylbenzamide
Formula:	C13 H11 N O Se
SMILES:	O=C(Nc1ccccc1)c1ccccc1[SeH]
InChi:	InChI=1S/C13H11NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)
Synonyms:	~{N}-phenyl-2-selanyl-benzamide
Definition date:	2017-05-26
Last modified:	2024-09-27
Release date:	2018-06-13
Identifier:	N-phenyl-2-selanylbenzamide

9JV

9JV
Name:	8-azanyl-4-methoxy-quinoline-2-carboxylic acid
Formula:	C11 H10 N2 O3
SMILES:	COc1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C11H10N2O3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)
Definition date:	2021-11-15
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	8-azanyl-4-methoxy-quinoline-2-carboxylic acid

9K0

9K0
Name:	(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one
Formula:	C26 H38 O3
SMILES:	O=C(C=C)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C
InChi:	InChI=1S/C26H38O3/c1-5-21(27)11-8-17(2)22-12-13-23-20(7-6-14-26(22,23)4)10-9-19-15-24(28)18(3)25(29)16-19/h5,9-10,17,22-25,28-29H,1,3,6-8,11-16H2,2,4H3/b20-10+/t17-,22-,23+,24-,25-,26-/m1/s1
Definition date:	2018-05-17
Last modified:	2024-09-27
Release date:	2018-07-18
Identifier:	(6R)-6-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]hept-1-en-3-one

9K5

9K5
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate
Formula:	C17 H16 F N5 O7 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](COC(=O)c4cccc(c4)[S](F)(=O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C17H16FN5O7S/c18-31(27,28)9-3-1-2-8(4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1
Definition date:	2017-05-28
Last modified:	2024-09-27
Release date:	2018-02-07
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate

9K8

9K8
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate
Formula:	C19 H20 F N5 O7 S
SMILES:	CCc1ccc(cc1[S](F)(=O)=O)C(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C19H20FN5O7S/c1-2-9-3-4-10(5-12(9)33(20,29)30)19(28)31-6-11-14(26)15(27)18(32-11)25-8-24-13-16(21)22-7-23-17(13)25/h3-5,7-8,11,14-15,18,26-27H,2,6H2,1H3,(H2,21,22,23)/t11-,14-,15-,18-/m1/s1
Definition date:	2017-05-28
Last modified:	2024-09-27
Release date:	2018-02-07
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate

9KK

9KK
Name:	N-methyl norleucine
Formula:	C7 H15 N O2
SMILES:	CCCC[CH](NC)C(O)=O
InChi:	InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
Definition date:	2017-05-30
Last modified:	2024-09-27
Release date:	2017-09-20
Identifier:	(2~{S})-2-(methylamino)hexanoic acid

9KP

9KP
Name:	(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine
Formula:	C17 H20 N2 O6
SMILES:	C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1
InChi:	InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1
Definition date:	2017-05-18
Last modified:	2024-09-27
Release date:	2019-04-10
Identifier:	(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine

9KR

9KR
Name:	(E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one
Formula:	C27 H40 O3
SMILES:	O=C(C=CC)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C
InChi:	InChI=1S/C27H40O3/c1-5-7-22(28)12-9-18(2)23-13-14-24-21(8-6-15-27(23,24)4)11-10-20-16-25(29)19(3)26(30)17-20/h5,7,10-11,18,23-26,29-30H,3,6,8-9,12-17H2,1-2,4H3/b7-5+,21-11+/t18-,23-,24+,25-,26-,27-/m1/s1
Definition date:	2018-05-22
Last modified:	2024-09-27
Release date:	2018-07-18
Identifier:	(2E,7R)-7-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-2-en-4-one

9KX

9KX
Name:	(2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one
Formula:	C27 H38 O3
SMILES:	OC1CC(/CC(C/1=C)O)=C/C=C3/C2C(C(CC2)C(C)C(=O)C=C[C@H]=CC)(CCC3)C
InChi:	InChI=1S/C27H38O3/c1-5-6-7-10-24(28)18(2)22-13-14-23-21(9-8-15-27(22,23)4)12-11-20-16-25(29)19(3)26(30)17-20/h5-7,10-12,18,22-23,25-26,29-30H,3,8-9,13-17H2,1-2,4H3/b6-5+,10-7+,21-12+/t18-,22+,23-,25+,26+,27+/m0/s1
Definition date:	2018-05-22
Last modified:	2024-09-27
Release date:	2018-07-18
Identifier:	(2S,4E,6E)-2-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]octa-4,6-dien-3-one

9MN

9MN
Name:	(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
Formula:	C12 H23 Br N2 O3
SMILES:	N[CH](CCCCNC(=O)CCCCCBr)C(O)=O
InChi:	InChI=1S/C12H23BrN2O3/c13-8-4-1-2-7-11(16)15-9-5-3-6-10(14)12(17)18/h10H,1-9,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
Definition date:	2017-06-08
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid

9O2

9O2
Name:	~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
Formula:	C25 H25 N5 O
SMILES:	CCC(=O)Nc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2
InChi:	InChI=1S/C25H25N5O/c1-2-23(31)28-20-10-6-9-18(15-20)24-29-22-16-19(26)11-12-21(22)25(30-24)27-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14,26H2,1H3,(H,28,31)(H,27,29,30)
Definition date:	2017-06-15
Last modified:	2024-09-27
Release date:	2017-09-06
Identifier:	~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide

9O5

9O5
Name:	4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
Formula:	C26 H26 N4 O
SMILES:	CC(=O)CCc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2
InChi:	InChI=1S/C26H26N4O/c1-18(31)10-11-20-8-5-9-21(16-20)25-29-24-17-22(27)12-13-23(24)26(30-25)28-15-14-19-6-3-2-4-7-19/h2-9,12-13,16-17H,10-11,14-15,27H2,1H3,(H,28,29,30)
Definition date:	2017-06-15
Last modified:	2024-09-27
Release date:	2017-09-06
Identifier:	4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one

9OW

9OW
Name:	3-selanyl-L-alaninamide
Formula:	C3 H8 N2 O Se
SMILES:	NC(=O)C(N)C[SeH]
InChi:	InChI=1S/C3H8N2OSe/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1
Definition date:	2021-10-21
Last modified:	2024-09-27
Release date:	2022-03-16
Identifier:	3-selanyl-L-alaninamide

9PR

9PR
Name:	N-methyl-L-prolinamide
Formula:	C6 H12 N2 O
SMILES:	O=C(NC)C1NCCC1
InChi:	InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
Definition date:	2010-12-09
Last modified:	2024-09-27
Identifier:	N-methyl-L-prolinamide

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