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LQW

LQW
Name:	~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
Formula:	C14 H12 Cl N O Se
SMILES:	Clc1ccc(CNC(=O)c2ccccc2[SeH])cc1
InChi:	InChI=1S/C14H12ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18/h1-8,18H,9H2,(H,16,17)
Definition date:	2019-09-02
Last modified:	2024-09-27
Release date:	2020-03-18
Identifier:	~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide

LR2

LR2
Name:	~{N}-pyridin-2-yl-2-selanyl-benzamide
Formula:	C12 H10 N2 O Se
SMILES:	[SeH]c1ccccc1C(=O)Nc2ccccn2
InChi:	InChI=1S/C12H10N2OSe/c15-12(9-5-1-2-6-10(9)16)14-11-7-3-4-8-13-11/h1-8,16H,(H,13,14,15)
Definition date:	2019-09-02
Last modified:	2024-09-27
Release date:	2020-03-18
Identifier:	~{N}-pyridin-2-yl-2-selanyl-benzamide

5DD

5DD
Name:	[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula:	C18 H24 N3 O9 P
SMILES:	Cc1cc2C[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
InChi:	InChI=1S/C18H24N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-4,11,13-15,22-24H,5-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,13+,14-,15+/m1/s1
Definition date:	2018-10-31
Last modified:	2024-09-27
Release date:	2019-05-29
Identifier:	[(2~{R},3~{S},4~{S})-5-[(4~{a}~{R})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

LRK

LRK
Name:	(2S)-2-azanyl-6-[[(2R,4R)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid
Formula:	C11 H23 N2 O9 P
SMILES:	O=P(OCC(O)C(=O)C(NCCCCC(C(=O)O)N)CO)(O)O
InChi:	InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-8(5-14)10(16)9(15)6-22-23(19,20)21/h7-9,13-15H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,8+,9+/m0/s1
Definition date:	2014-11-17
Last modified:	2024-09-27
Release date:	2015-01-14
Identifier:	(2S)-2-amino-6-{[(2R,4R)-1,4-dihydroxy-3-oxo-5-(phosphonooxy)pentan-2-yl]amino}hexanoic acid (non-preferred name)

5DP

5DP
Name:	5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
Formula:	C27 H46 N2 O16
SMILES:	O=C1N(C(=O)CC1)CCCCC(=O)NCCOCCOCCOC3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C27H46N2O16/c30-13-15-20(35)21(36)23(38)27(43-15)45-25-16(14-31)44-26(24(39)22(25)37)42-12-11-41-10-9-40-8-6-28-17(32)3-1-2-7-29-18(33)4-5-19(29)34/h15-16,20-27,30-31,35-39H,1-14H2,(H,28,32)/t15-,16-,20+,21-,22-,23+,24+,25-,26+,27-/m1/s1
Definition date:	2008-03-13
Last modified:	2024-09-27
Identifier:	5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide

LRN

LRN
Name:	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
Formula:	C20 H36 N2 O2
SMILES:	O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1
InChi:	InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one

5DW

5DW
Name:	4-ethynyl-L-phenylalanine
Formula:	C11 H11 N O2
SMILES:	C(c1ccc(CC(N)C(=O)O)cc1)#C
InChi:	InChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h1,3-6,10H,7,12H2,(H,13,14)/t10-/m0/s1
Definition date:	2015-09-14
Last modified:	2024-09-27
Release date:	2016-02-03
Identifier:	4-ethynyl-L-phenylalanine

9EF

9EF
Name:	N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C13 H26 N3 O8 P
SMILES:	O=P(O)(O)OCC(C)(C(C(NCCC(=O)NCCNC(=O)C)=O)O)C
InChi:	InChI=1S/C13H26N3O8P/c1-9(17)14-6-7-15-10(18)4-5-16-12(20)11(19)13(2,3)8-24-25(21,22)23/h11,19H,4-8H2,1-3H3,(H,14,17)(H,15,18)(H,16,20)(H2,21,22,23)/t11-/m0/s1
Definition date:	2018-03-27
Last modified:	2024-09-27
Release date:	2018-06-13
Identifier:	N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

LSO

LSO
Name:	(Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE
Formula:	C16 H26 N2 O9 S
SMILES:	O=S(=O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O)CCC(=O)O
InChi:	InChI=1S/C16H26N2O9S/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-28(26,27)10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1
Synonyms:	2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2024-09-27
Identifier:	(E)-N~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-L-lysine

9EP

9EP
Name:	(2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C16 H18 N2 O6 S2
SMILES:	O=CC(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)C
InChi:	InChI=1S/C16H18N2O6S2/c1-9(20)24-7-10-8-26-15(18-14(10)16(22)23)12(6-19)17-13(21)5-11-3-2-4-25-11/h2-4,6,12,15,18H,5,7-8H2,1H3,(H,17,21)(H,22,23)/t12-,15-/m1/s1
Synonyms:	Cephalotin, bound form
Definition date:	2010-06-28
Last modified:	2024-09-27
Identifier:	(2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

LSR

LSR
Name:	1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
Formula:	C15 H24
SMILES:	C(/C1=C(CCCC1(C)C)C)=CC(=CC)C
InChi:	InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
Definition date:	2008-04-17
Last modified:	2024-09-27
Identifier:	1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene

9ES

9ES
Name:	N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide
Formula:	C29 H36 Cl2 N8 O4
SMILES:	C1N(CCN(C1)c4ccc(Nc2ncnc(c2)N(C)C(Nc3c(c(OC)cc(c3Cl)OC)Cl)=O)c(NC(=O)CC)c4)CC
InChi:	InChI=1S/C29H36Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h8-9,14-17H,6-7,10-13H2,1-5H3,(H,35,40)(H,36,41)(H,32,33,34)
Definition date:	2017-05-01
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide

9EV

9EV
Name:	6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine
Formula:	C16 H24 N3 O9 P
SMILES:	C2(c1c(c(C)ncc1COP(=O)(O)O)O)N(CC(O2)=O)CCCCC(C(O)=O)N
InChi:	InChI=1S/C16H24N3O9P/c1-9-14(21)13(10(6-18-9)8-27-29(24,25)26)15-19(7-12(20)28-15)5-3-2-4-11(17)16(22)23/h6,11,15,21H,2-5,7-8,17H2,1H3,(H,22,23)(H2,24,25,26)/t11-,15+/m0/s1
Definition date:	2017-05-03
Last modified:	2024-09-27
Release date:	2017-05-17
Identifier:	6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine

LTA

LTA
Name:	4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER
Formula:	C10 H22 N2 O3
SMILES:	O=C(OCC)CC(O)C(N)CCCCN
InChi:	InChI=1S/C10H22N2O3/c1-2-15-10(14)7-9(13)8(12)5-3-4-6-11/h8-9,13H,2-7,11-12H2,1H3/t8-,9-/m0/s1
Synonyms:	STATINE ANALOGUE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	ethyl (3S,4S)-4,8-diamino-3-hydroxyoctanoate

LTE

LTE
Name:	1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine
Formula:	C18 H29 N9 O5
SMILES:	N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C18H29N9O5/c19-9(17(30)31)3-1-5-22-18(21)23-6-2-4-10-12(28)13(29)16(32-10)27-8-26-11-14(20)24-7-25-15(11)27/h7-10,12-13,16,28-29H,1-6,19H2,(H,30,31)(H2,20,24,25)(H3,21,22,23)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2019-09-04
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	(2~{S})-5-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]-2-azanyl-pentanoic acid

LTJ

LTJ
Name:	4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Formula:	C20 H25 F N4 O2
SMILES:	C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3)NC(C=[C@H]C)=O
InChi:	InChI=1S/C20H25FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h4,6,9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/b6-4+/t13-/m0/s1
Definition date:	2019-03-13
Last modified:	2024-09-27
Release date:	2019-04-03
Identifier:	4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide

LTN

LTN
Name:	L-TRYPTOPHANAMIDE
Formula:	C11 H13 N3 O
SMILES:	O=C(N)C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1
Definition date:	2002-08-08
Last modified:	2024-09-27
Identifier:	L-tryptophanamide

9FM

9FM
Name:	N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
Formula:	C20 H33 N5 O6 S
SMILES:	c1(ccc(c2nonc12)S(=O)(N(C)CC(=O)NCCOCCOCCCCCC)=O)NC
InChi:	InChI=1S/C20H33N5O6S/c1-4-5-6-7-11-29-13-14-30-12-10-22-18(26)15-25(3)32(27,28)17-9-8-16(21-2)19-20(17)24-31-23-19/h8-9,21H,4-7,10-15H2,1-3H3,(H,22,26)
Definition date:	2017-05-05
Last modified:	2024-09-27
Release date:	2017-06-14
Identifier:	N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide

LTU

LTU
Name:	2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid
Formula:	C16 H20 N2 O4
SMILES:	CC(C)([CH]1CO1)n2cc([CH](O)[CH](N)C(O)=O)c3ccccc23
InChi:	InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13+,14-/m1/s1
Synonyms:	(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid
Definition date:	2022-07-12
Last modified:	2024-09-27
Release date:	2023-03-29
Identifier:	(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid

9FZ

9FZ
Name:	(2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid
Formula:	C8 H14 N4 O2
SMILES:	Cc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C8H14N4O2/c1-6-5-12(11-10-6)4-2-3-7(9)8(13)14/h5,7H,2-4,9H2,1H3,(H,13,14)/t7-/m0/s1
Definition date:	2017-05-17
Last modified:	2024-09-27
Release date:	2017-08-30
Identifier:	(2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid

9G2

9G2
Name:	(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid
Formula:	C9 H16 N4 O2
SMILES:	CCc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1
Definition date:	2017-05-17
Last modified:	2024-09-27
Release date:	2017-08-30
Identifier:	(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid

9GE

9GE
Name:	(~{E})-13-methyltetradec-2-enoic acid
Formula:	C15 H28 O2
SMILES:	CC(C)CCCCCCCCCC=CC(O)=O
InChi:	InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h11,13-14H,3-10,12H2,1-2H3,(H,16,17)/b13-11+
Definition date:	2017-05-18
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	(~{E})-13-methyltetradec-2-enoic acid

9GI

9GI
Name:	benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)
Formula:	C33 H51 N5 O7
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NN(CC1CCNC1=O)C(=O)CC
InChi:	InChI=1S/C33H51N5O7/c1-6-27(39)38(20-25-17-18-34-29(25)40)37-30(41)26(19-23-13-9-7-10-14-23)35-31(42)28(22(2)45-33(3,4)5)36-32(43)44-21-24-15-11-8-12-16-24/h8,11-12,15-16,22-23,25-26,28H,6-7,9-10,13-14,17-21H2,1-5H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t22-,25+,26+,28+/m1/s1
Definition date:	2021-10-13
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)

9GU

9GU
Name:	(1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Formula:	C14 H14 F3 N5 O
SMILES:	C1N(CCN(C1)C(n2nncc2)=O)c3ccc(C(F)(F)F)cc3
InChi:	InChI=1S/C14H14F3N5O/c15-14(16,17)11-1-3-12(4-2-11)20-7-9-21(10-8-20)13(23)22-6-5-18-19-22/h1-6H,7-10H2
Definition date:	2018-04-20
Last modified:	2024-09-27
Release date:	2018-11-21
Identifier:	(1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone

LV0

LV0
Name:	~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
Formula:	C21 H21 N3 O3 S
SMILES:	O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)NCc3sccn3
InChi:	InChI=1S/C21H21N3O3S/c25-19(21(27)23-14-18-22-11-12-28-18)17(13-15-7-3-1-4-8-15)24-20(26)16-9-5-2-6-10-16/h1-12,17,19,25H,13-14H2,(H,23,27)(H,24,26)/t17-,19+/m1/s1
Definition date:	2022-12-08
Last modified:	2024-09-27
Release date:	2023-03-29
Identifier:	~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide

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