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7BY

7BY
Name:	N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide
Formula:	C20 H29 N5 O3
SMILES:	c21nc(nc(c1cc(c(c2)OC)OC)NCCCNC(=O)CC)N3CCCC3
InChi:	InChI=1S/C20H29N5O3/c1-4-18(26)21-8-7-9-22-19-14-12-16(27-2)17(28-3)13-15(14)23-20(24-19)25-10-5-6-11-25/h12-13H,4-11H2,1-3H3,(H,21,26)(H,22,23,24)
Definition date:	2016-09-30
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide

MX1

MX1
Name:	(2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID
Formula:	C18 H18 N2 O10
SMILES:	O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C(=O)O)C2N=C(C(=C)CO2)C(=O)O
InChi:	InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16-,18-/m1/s1
Synonyms:	MOXALACTAM (HYDROLYZED)
Definition date:	2005-09-06
Last modified:	2024-09-27
Identifier:	(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid

MX3

MX3
Name:	(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID
Formula:	C14 H19 N3 O4
SMILES:	O=C(O)CN(N)C(=O)CCC(=O)N(Cc1ccccc1)C
InChi:	InChI=1S/C14H19N3O4/c1-16(9-11-5-3-2-4-6-11)12(18)7-8-13(19)17(15)10-14(20)21/h2-6H,7-10,15H2,1H3,(H,20,21)
Synonyms:	AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE
Definition date:	2005-09-29
Last modified:	2024-09-27
Identifier:	(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid

MX4

MX4
Name:	{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:	C13 H16 N2 O5
SMILES:	O=C(O)CN(N)C(=O)CCC(=O)OCc1ccccc1
InChi:	InChI=1S/C13H16N2O5/c14-15(8-12(17)18)11(16)6-7-13(19)20-9-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,17,18)
Definition date:	2005-09-29
Last modified:	2024-09-27
Identifier:	{1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid

MX5

MX5
Name:	{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:	C15 H19 N3 O4
SMILES:	O=C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2
InChi:	InChI=1S/C15H19N3O4/c16-18(10-15(21)22)14(20)8-7-13(19)17-9-3-5-11-4-1-2-6-12(11)17/h1-2,4,6H,3,5,7-10,16H2,(H,21,22)
Synonyms:	{N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID
Definition date:	2005-10-02
Last modified:	2024-09-27
Identifier:	{1-[4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobutanoyl]hydrazino}acetic acid

7CC

7CC
Name:	N,N-diethyl-L-asparagine
Formula:	C8 H16 N2 O3
SMILES:	O=C(O)C(CC(N(CC)CC)=O)N
InChi:	InChI=1S/C8H16N2O3/c1-3-10(4-2)7(11)5-6(9)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13)/t6-/m0/s1
Definition date:	2016-10-03
Last modified:	2024-09-27
Release date:	2017-01-11
Identifier:	N,N-diethyl-L-asparagine

MX9

MX9
Name:	(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
Formula:	C17 H15 N O4
SMILES:	Cc1cccc(c1)COC(=O)c1cccc2c1NC(=O)C2O
InChi:	InChI=1S/C17H15NO4/c1-10-4-2-5-11(8-10)9-22-17(21)13-7-3-6-12-14(13)18-16(20)15(12)19/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m1/s1
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate

MXC

MXC
Name:	(2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid
Formula:	C16 H18 N4 O8 S
SMILES:	O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1cc(ccn12)C(=O)N)C=O)N
InChi:	InChI=1S/C16H18N4O8S/c1-16(29(26)27,7-28-15(18)25)11(14(23)24)19-13-9(6-21)5-10-4-8(12(17)22)2-3-20(10)13/h2-6,11,19H,7H2,1H3,(H2,17,22)(H2,18,25)(H,23,24)(H,26,27)/t11-,16-/m0/s1
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	(3R)-N-(7-carbamoyl-2-formylindolizin-3-yl)-4-(carbamoyloxy)-3-sulfino-D-valine

MXF

MXF
Name:	(2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
Formula:	C17 H22 N4 O7 S
SMILES:	O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)NCCN
InChi:	InChI=1S/C17H22N4O7S/c1-17(29(26)27,10-28-16(25)19-6-5-18)13(15(23)24)20-14-11(9-22)8-12-4-2-3-7-21(12)14/h2-4,7-9,13,20H,5-6,10,18H2,1H3,(H,19,25)(H,23,24)(H,26,27)/t13-,17-/m0/s1
Synonyms:	penam sulfone SA3-53, open form
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	(3R)-4-{[(2-aminoethyl)carbamoyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine

MXR

MXR
Name:	(2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C17 H27 N3 O5 S
SMILES:	O=C(O)C2=NC(C(C2SC1CC(C(=O)N(C)C)NC1)C)C(C=O)C(O)C
InChi:	InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12-,13-,15+/m1/s1
Synonyms:	meropenem bound form (tautomerism)
Definition date:	2012-10-02
Last modified:	2024-09-27
Release date:	2013-06-19
Identifier:	(2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

MXT

MXT
Name:	1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE
Formula:	C13 H22 N2 O3
SMILES:	O=C1N(C(=O)CC1)C2CC(N(O)C(C)(C)C2)(C)C
InChi:	InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3
Definition date:	2007-08-21
Last modified:	2024-09-27
Identifier:	1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

MXU

MXU
Name:	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C24 H35 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O
InChi:	InChI=1S/C24H35N5O7/c1-24(2,3)36-23(35)28-15-5-4-10-29(22(15)34)17(11-13-6-7-13)21(33)27-16(18(30)19(25)31)12-14-8-9-26-20(14)32/h4-5,10,13-14,16-18,30H,6-9,11-12H2,1-3H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,35)/t14-,16-,17-,18+/m0/s1
Definition date:	2022-08-09
Last modified:	2024-09-27
Release date:	2023-08-16
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

MY0

MY0
Name:	(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
Formula:	C6 H10 N2 O6
SMILES:	O=C(N(N)CC(=O)O)CC(O)C(=O)O
InChi:	InChI=1S/C6H10N2O6/c7-8(2-5(11)12)4(10)1-3(9)6(13)14/h3,9H,1-2,7H2,(H,11,12)(H,13,14)/t3-/m0/s1
Definition date:	2010-11-08
Last modified:	2024-09-27
Identifier:	(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid

MY1

MY1
Name:	[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
Formula:	C20 H23 N3 O5
SMILES:	O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1
Definition date:	2006-01-27
Last modified:	2024-09-27
Identifier:	{1-[(3S)-4-(dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid

7D8

7D8
Name:	(1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol
Formula:	C8 H13 F O3
SMILES:	OC[C]12C[CH]1C[CH](F)[CH](O)[CH]2O
InChi:	InChI=1S/C8H13FO3/c9-5-1-4-2-8(4,3-10)7(12)6(5)11/h4-7,10-12H,1-3H2/t4-,5-,6+,7+,8-/m0/s1
Definition date:	2016-10-08
Last modified:	2024-09-27
Release date:	2016-11-09
Identifier:	(1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol

MY2

MY2
Name:	{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:	C13 H16 N2 O6
SMILES:	O=C(O)CN(N)C(=O)CC(O)C(=O)OCc1ccccc1
InChi:	InChI=1S/C13H16N2O6/c14-15(7-12(18)19)11(17)6-10(16)13(20)21-8-9-4-2-1-3-5-9/h1-5,10,16H,6-8,14H2,(H,18,19)/t10-/m0/s1
Definition date:	2006-05-22
Last modified:	2024-09-27
Identifier:	{1-[(3S)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid

MY3

MY3
Name:	[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO] - ACETIC ACID
Formula:	C13 H17 N3 O5
SMILES:	O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccccc1
InChi:	InChI=1S/C13H17N3O5/c14-16(8-12(19)20)11(18)6-10(17)13(21)15-7-9-4-2-1-3-5-9/h1-5,10,17H,6-8,14H2,(H,15,21)(H,19,20)/t10-/m0/s1
Definition date:	2006-05-22
Last modified:	2024-09-27
Identifier:	{1-[(3S)-4-(benzylamino)-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid

MY5

MY5
Name:	{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:	C16 H22 N4 O6
SMILES:	O=C(O)CN(N)C(=O)CC(O)C(=O)NC(C(=O)NCc1ccccc1)C
InChi:	InChI=1S/C16H22N4O6/c1-10(15(25)18-8-11-5-3-2-4-6-11)19-16(26)12(21)7-13(22)20(17)9-14(23)24/h2-6,10,12,21H,7-9,17H2,1H3,(H,18,25)(H,19,26)(H,23,24)/t10-,12-/m0/s1
Definition date:	2006-05-22
Last modified:	2024-09-27
Identifier:	{1-[(3S)-4-{[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino}-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid

MYA

MYA
Name:	TETRADECANOYL-COA
Formula:	C35 H62 N7 O17 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC
InChi:	InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1
Synonyms:	MYRISTOYL-COA
Definition date:	2001-04-23
Last modified:	2024-09-27
Identifier:	S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name)

7DH

7DH
Name:	(3E)-5-hydroxy-2-oxopent-3-enoic acid
Formula:	C5 H6 O4
SMILES:	C(O)C=CC(C(=O)O)=O
InChi:	InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h1-2,6H,3H2,(H,8,9)/b2-1+
Definition date:	2016-10-10
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	(3E)-5-hydroxy-2-oxopent-3-enoic acid

MYE

MYE
Name:	N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE
Formula:	C20 H29 Br N2 O4
SMILES:	Brc1ccc(cc1)COC(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C
InChi:	InChI=1S/C20H29BrN2O4/c1-4-5-6-17(12-24)22-19(25)18(11-14(2)3)23-20(26)27-13-15-7-9-16(21)10-8-15/h7-10,12,14,17-18H,4-6,11,13H2,1-3H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1
Definition date:	2004-03-12
Last modified:	2024-09-27
Identifier:	N~2~-{[(4-bromobenzyl)oxy]carbonyl}-N-[(1S)-1-formylpentyl]-L-leucinamide

MYK

MYK
Name:	N~6~-tetradecanoyl-L-lysine
Formula:	C20 H40 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CCCCCCCCCCCCC
InChi:	InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
Synonyms:	N6-myristoyl lysine
Definition date:	2011-10-17
Last modified:	2024-09-27
Identifier:	N~6~-tetradecanoyl-L-lysine

MYN

MYN
Name:	(2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
Formula:	C6 H12 N4 O2
SMILES:	N[CH]([CH]1CCNC(=N1)N)C(O)=O
InChi:	InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1
Definition date:	2010-02-12
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-2-[(4R)-2-azanyl-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid

7E4

7E4
Name:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid
Formula:	C33 H34 N4 O2
SMILES:	OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5
InChi:	InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m0/s1
Definition date:	2016-10-13
Last modified:	2024-09-27
Release date:	2017-10-25
Identifier:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

MZF

MZF
Name:	(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one
Formula:	C11 H8 Br N3 O3
SMILES:	Brc1cc2C(O)C(=O)N(Cc3ncon3)c2cc1
InChi:	InChI=1S/C11H8BrN3O3/c12-6-1-2-8-7(3-6)10(16)11(17)15(8)4-9-13-5-18-14-9/h1-3,5,10,16H,4H2/t10-/m1/s1
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one

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