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7EP

7EP
Name:	(2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C17 H22 N2 O6 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC
InChi:	InChI=1S/C17H22N2O6S/c1-17(2)13(16(22)23)19-15(26-17)9(8-20)18-14(21)12-10(24-3)6-5-7-11(12)25-4/h5-9,13,15,19H,1-4H3,(H,18,21)(H,22,23)/t9-,13+,15-/m1/s1
Synonyms:	methicillin, bound form
Definition date:	2010-06-28
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-{(1R)-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

7F1

7F1
Name:	(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
Formula:	C36 H46 N6 O6 S
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CN3CCOCC3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C=C[S](C)(=O)=O
InChi:	InChI=1S/C36H46N6O6S/c1-24(2)18-32(35(44)39-27(12-17-49(3,46)47)19-25-21-37-30-10-6-4-8-28(25)30)41-36(45)33(40-34(43)23-42-13-15-48-16-14-42)20-26-22-38-31-11-7-5-9-29(26)31/h4-12,17,21-22,24,27,32-33,37-38H,13-16,18-20,23H2,1-3H3,(H,39,44)(H,40,43)(H,41,45)/t27-,32+,33+/m1/s1
Definition date:	2015-11-04
Last modified:	2024-09-27
Release date:	2016-03-02
Identifier:	(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide

7F2

7F2
Name:	(2R)-octane-1,2-diol
Formula:	C8 H18 O2
SMILES:	CCCCCCC(CO)O
InChi:	InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1
Definition date:	2016-10-17
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(2R)-octane-1,2-diol

7F6

7F6
Name:	(1R,2R)-1,2-diphenylethane-1,2-diol
Formula:	C14 H14 O2
SMILES:	C(C(c1ccccc1)O)(O)c2ccccc2
InChi:	InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
Synonyms:	cis-stilbene epoxide, bound form
Definition date:	2016-10-17
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(1R,2R)-1,2-diphenylethane-1,2-diol

7FA

7FA
Name:	methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
Formula:	C19 H34 F O2 P
SMILES:	C(CCCCC=C/CC=C/CC=C/CCCCC)P(F)(OC)=O
InChi:	InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1
Definition date:	2011-09-14
Last modified:	2024-09-27
Identifier:	methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate

7FB

7FB
Name:	(2R)-hexane-1,2-diol
Formula:	C6 H14 O2
SMILES:	OCC(CCCC)O
InChi:	InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m1/s1
Definition date:	2016-10-18
Last modified:	2024-09-27
Release date:	2016-11-02
Identifier:	(2R)-hexane-1,2-diol

7G8

7G8
Name:	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
Formula:	C26 H24 F N7 O3
SMILES:	CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)ncc2F)c1
InChi:	InChI=1S/C26H24FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)
Definition date:	2016-10-19
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide

7G9

7G9
Name:	~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
Formula:	C22 H24 F N5 O3
SMILES:	CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
InChi:	InChI=1S/C22H24FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,29)(H2,24,26,27,28)
Definition date:	2016-10-19
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide

7GA

7GA
Name:	2,4-DIMETHYLPENTANAL
Formula:	C7 H14 O2
SMILES:	CC(C)C[CH](C)C(O)=O
InChi:	InChI=1S/C7H14O2/c1-5(2)4-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
Definition date:	2015-07-30
Last modified:	2024-09-27
Release date:	2015-09-30
Identifier:	(2S)-2,4-dimethylpentanoic acid

7GB

7GB
Name:	6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
Formula:	C25 H24 N6 O3
SMILES:	CC=CC(=O)N1CC[CH](C1)N2C(=O)N(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
InChi:	InChI=1S/C25H24N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h2-12,16,18H,13-15H2,1H3,(H2,26,27,28)/b6-2+/t18-/m1/s1
Definition date:	2016-10-19
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one

A1IBS

A1IBS
Name:	~{N}-[(2-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline
Formula:	C19 H24 F N3
SMILES:	CN1CCN(CC1)Cc2ccc(NCc3ccccc3F)cc2
InChi:	InChI=1S/C19H24FN3/c1-22-10-12-23(13-11-22)15-16-6-8-18(9-7-16)21-14-17-4-2-3-5-19(17)20/h2-9,21H,10-15H2,1H3
Definition date:	2024-05-14
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	~{N}-[(2-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline

A1IDO

A1IDO
Name:	~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide
Formula:	C21 H23 Cl N2 O2
SMILES:	N[CH]1CC[CH](C1)Oc2ccc(cc2)N(Cc3ccc(Cl)cc3)C(=O)C=C
InChi:	InChI=1S/C21H23ClN2O2/c1-2-21(25)24(14-15-3-5-16(22)6-4-15)18-8-11-19(12-9-18)26-20-10-7-17(23)13-20/h2-6,8-9,11-12,17,20H,1,7,10,13-14,23H2/t17-,20-/m1/s1
Definition date:	2024-06-06
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide

7H4

7H4
Name:	1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
Formula:	C15 H21 N5 O
SMILES:	n3c2c(c(NC1CCC(C)N(C(=O)CC)C1)ncn2)cc3
InChi:	InChI=1S/C15H21N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h6-7,9-11H,3-5,8H2,1-2H3,(H2,16,17,18,19)/t10-,11+/m0/s1
Definition date:	2016-10-25
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one

A1IEY

A1IEY
Name:	(5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate
Formula:	C19 H13 Cl F N O3
SMILES:	Fc1cc(OCc2ccccc2)ccc1C(=O)Oc3cncc(Cl)c3
InChi:	InChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2
Definition date:	2024-06-17
Last modified:	2024-09-27
Release date:	2024-08-28
Identifier:	(5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate

7VQ

7VQ
Name:	N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C27 H36 N4 O7
SMILES:	O=C1NCCC1CC(CO)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)Cc1ccco1
InChi:	InChI=1S/C27H36N4O7/c1-17(2)23(31-27(36)38-16-18-7-4-3-5-8-18)26(35)30-22(14-21-9-6-12-37-21)25(34)29-20(15-32)13-19-10-11-28-24(19)33/h3-9,12,17,19-20,22-23,32H,10-11,13-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,22-,23-/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

7VU

7VU
Name:	(2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid
Formula:	C12 H17 N O2
SMILES:	CCN[CH](Cc1ccc(C)cc1)C(O)=O
InChi:	InChI=1S/C12H17NO2/c1-3-13-11(12(14)15)8-10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)/t11-/m0/s1
Definition date:	2021-10-29
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(2~{S})-2-(ethylamino)-3-(4-methylphenyl)propanoic acid

7VW

7VW
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Formula:	C30 H48 N4 O7
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C30H48N4O7/c1-19(41-30(5,6)7)24(34-28(39)40-18-20-11-9-8-10-12-20)27(38)33-23(16-29(2,3)4)26(37)32-22(17-35)15-21-13-14-31-25(21)36/h8-12,19,21-24,35H,13-18H2,1-7H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t19-,21+,22+,23+,24+/m1/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

7W2

7W2
Name:	(2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H10 F5 N O2
SMILES:	N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H10F5NO2/c12-6-3-5(1-2-8(17)10(18)19)4-7(13)9(6)11(14,15)16/h3-4,8H,1-2,17H2,(H,18,19)/t8-/m0/s1
Definition date:	2021-10-29
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid

1IP

1IP
Name:	N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE
Formula:	C6 H11 N2 O7 P
SMILES:	O=C(NC(C(=O)O)CC(=O)N)CP(=O)(O)O
InChi:	InChI=1S/C6H11N2O7P/c7-4(9)1-3(6(11)12)8-5(10)2-16(13,14)15/h3H,1-2H2,(H2,7,9)(H,8,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1
Definition date:	2006-10-16
Last modified:	2024-09-27
Identifier:	N~2~-(phosphonoacetyl)-L-asparagine

7W5

7W5
Name:	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Formula:	C28 H44 N4 O6
SMILES:	CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C28H44N4O6/c1-27(2,3)15-21(24(35)30-20(16-33)14-19-12-13-29-23(19)34)31-25(36)22(28(4,5)6)32-26(37)38-17-18-10-8-7-9-11-18/h7-11,19-22,33H,12-17H2,1-6H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t19-,20-,21-,22+/m0/s1
Definition date:	2021-08-23
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

7WC

7WC
Name:	(3S)-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid
Formula:	C7 H14 N2 O3
SMILES:	CN[CH](CC(O)=O)C(=O)N(C)C
InChi:	InChI=1S/C7H14N2O3/c1-8-5(4-6(10)11)7(12)9(2)3/h5,8H,4H2,1-3H3,(H,10,11)/t5-/m0/s1
Definition date:	2021-10-29
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(3~{S})-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid

7WJ

7WJ
Name:	(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
Formula:	C20 H19 N5 O3
SMILES:	C(=O)(O)C(CCNC(c2cc(c1ncccc1)nc(c2)c3ccccn3)=O)N
InChi:	InChI=1S/C20H19N5O3/c21-14(20(27)28)7-10-24-19(26)13-11-17(15-5-1-3-8-22-15)25-18(12-13)16-6-2-4-9-23-16/h1-6,8-9,11-12,14H,7,10,21H2,(H,24,26)(H,27,28)/t14-/m0/s1
Definition date:	2016-12-08
Last modified:	2024-09-27
Release date:	2017-02-22
Identifier:	(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid

7WO

7WO
Name:	2-hydroxynaphthalene-1-carbaldehyde
Formula:	C11 H8 O2
SMILES:	c2ccc1c(C=O)c(ccc1c2)O
InChi:	InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
Definition date:	2016-12-09
Last modified:	2024-09-27
Release date:	2017-02-15
Identifier:	2-hydroxynaphthalene-1-carbaldehyde

7WP

7WP
Name:	2,4-diaminopteridine-6-carbaldehyde
Formula:	C7 H6 N6 O
SMILES:	c12nc(C=O)cnc1nc(N)nc2N
InChi:	InChI=1S/C7H6N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1-2H,(H4,8,9,10,12,13)
Definition date:	2016-12-08
Last modified:	2024-09-27
Release date:	2017-02-08
Identifier:	2,4-diaminopteridine-6-carbaldehyde

1JM

1JM
Name:	4-carboxy-N-methyl-D-phenylalanine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(NC)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
Definition date:	2013-02-15
Last modified:	2024-09-27
Release date:	2013-11-06
Identifier:	4-carboxy-N-methyl-D-phenylalanine

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