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LBC

LBC
Name:	2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 I N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(I)c1
InChi:	InChI=1S/C14H13IN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide

LBO

LBO
Name:	2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C17 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(c1)C1CC1
InChi:	InChI=1S/C17H18N2O/c1-12-7-8-18-11-16(12)19-17(20)10-13-3-2-4-15(9-13)14-5-6-14/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,19,20)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide

0Y8

0Y8
Name:	(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline
Formula:	C14 H13 Br N2 O3
SMILES:	O=C(O)C3NCC(Oc1nccc2c1cc(Br)cc2)C3
InChi:	InChI=1S/C14H13BrN2O3/c15-9-2-1-8-3-4-16-13(11(8)5-9)20-10-6-12(14(18)19)17-7-10/h1-5,10,12,17H,6-7H2,(H,18,19)/t10-,12+/m1/s1
Definition date:	2012-09-12
Last modified:	2023-11-03
Release date:	2012-12-07
Identifier:	(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline

0YG

0YG
Name:	N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine
Formula:	C11 H12 N2 O4
SMILES:	NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O
InChi:	InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5-
Definition date:	2010-02-16
Last modified:	2023-11-03
Identifier:	2-[[(Z)-2-azanyl-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethanoic acid

LCK

LCK
Name:	(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine
Formula:	C10 H18 N2 O4
SMILES:	O=C(O)CC(=N/CCCCC(N)C(=O)O)C
InChi:	InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1
Definition date:	2008-02-15
Last modified:	2023-11-03
Identifier:	(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine

LCU

LCU
Name:	2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)CC1CC2CC2C1
InChi:	InChI=1S/C14H18N2O/c1-9-2-3-15-8-13(9)16-14(17)6-10-4-11-7-12(11)5-10/h2-3,8,10-12H,4-7H2,1H3,(H,16,17)/t10-,11+,12-
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide

LDX

LDX
Name:	3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C15 H15 F N2 O
SMILES:	O=C(Nc1cnccc1C)CCc1ccccc1F
InChi:	InChI=1S/C15H15FN2O/c1-11-8-9-17-10-14(11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7H2,1H3,(H,18,19)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide

LET

LET
Name:	(Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-OXOBUTOXY)METHYL]PROPYLIDENE}-L-LYSINE
Formula:	C16 H26 N2 O8
SMILES:	O=C(COC/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CCC(=O)O
InChi:	InChI=1S/C16H26N2O8/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-26-10-12(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-1-(4-CARBOXY-2-OXO-BUTOXYMETHYL)-PROPYLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-L-lysine

11Q

11Q
Name:	1-(cyclohexylmethyl)-L-proline
Formula:	C12 H21 N O2
SMILES:	O=C(O)C2N(CC1CCCCC1)CCC2
InChi:	InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
Definition date:	2012-09-29
Last modified:	2023-11-03
Release date:	2013-04-03
Identifier:	1-(cyclohexylmethyl)-L-proline

LF3

LF3
Name:	2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C16 H14 Cl N3 O3
SMILES:	Cc1ccncc1NC(=O)CN1c2cc(Cl)ccc2OCC1=O
InChi:	InChI=1S/C16H14ClN3O3/c1-10-4-5-18-7-12(10)19-15(21)8-20-13-6-11(17)2-3-14(13)23-9-16(20)22/h2-7H,8-9H2,1H3,(H,19,21)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide

13E

13E
Name:	N-[(2S)-2-amino-3-phenylpropyl]-L-methionine
Formula:	C14 H22 N2 O2 S
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)CCSC
InChi:	InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13-/m0/s1
Definition date:	2012-10-02
Last modified:	2023-11-03
Release date:	2012-12-07
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-methionine

KAC

KAC
Name:	4-(benzoylamino)butanoic acid
Formula:	C11 H13 N O3
SMILES:	O=C(NCCCC(=O)O)c1ccccc1
InChi:	InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)
Definition date:	2014-10-07
Last modified:	2023-11-03
Release date:	2014-12-03
Identifier:	4-(benzoylamino)butanoic acid

175

175
Name:	3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-4-ON
Formula:	C8 H16 N4 O3
SMILES:	O=C1N(CC(=O)O)C(NC1CN)C(N)C
InChi:	InChI=1S/C8H16N4O3/c1-4(10)7-11-5(2-9)8(15)12(7)3-6(13)14/h4-5,7,11H,2-3,9-10H2,1H3,(H,13,14)/t4-,5-,7-/m0/s1
Definition date:	2004-05-23
Last modified:	2023-11-03
Identifier:	[(2S,4S)-2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxoimidazolidin-1-yl]acetic acid

KCR

KCR
Name:	N-6-crotonyl-L-lysine
Formula:	C10 H18 N2 O3
SMILES:	NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C
InChi:	InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1
Definition date:	2015-03-26
Last modified:	2023-11-03
Release date:	2015-09-16
Identifier:	N~6~-[(2E)-but-2-enoyl]-L-lysine

KEO

KEO
Name:	e(R)-beta-lysyl-hydroxylysine
Formula:	C12 H26 N4 O4
SMILES:	NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O
InChi:	InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1
Definition date:	2017-10-05
Last modified:	2023-11-03
Release date:	2017-11-22
Identifier:	(2~{S},4~{S})-2-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-hexanoic acid

KF2

KF2
Name:	[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
Formula:	C16 H26 N O3 P
SMILES:	CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O
InChi:	InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1
Definition date:	2019-05-16
Last modified:	2023-11-03
Release date:	2019-12-18
Identifier:	[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid

KFU

KFU
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C18 H13 Cl N2 O2
SMILES:	Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

KG9

KG9
Name:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C24 H21 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

KHB

KHB
Name:	N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine
Formula:	C10 H20 N2 O4
SMILES:	NC(C(O)=O)CCCCNC(=O)CC(O)C
InChi:	InChI=1S/C10H20N2O4/c1-7(13)6-9(14)12-5-3-2-4-8(11)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7-,8-/m0/s1
Definition date:	2018-02-05
Last modified:	2023-11-03
Release date:	2019-02-06
Identifier:	N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine

KJI

KJI
Name:	N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
Formula:	C17 H16 N4 O
SMILES:	O=C(Nc1cnccc1C)CNc1ccnc2ccccc21
InChi:	InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide

KJO

KJO
Name:	N-phenyl-2-(pyridin-3-yl)prop-2-enamide
Formula:	C14 H12 N2 O
SMILES:	O=C(Nc1ccccc1)C(=C)c1cccnc1
InChi:	InChI=1S/C14H12N2O/c1-11(12-6-5-9-15-10-12)14(17)16-13-7-3-2-4-8-13/h2-10H,1H2,(H,16,17)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-phenyl-2-(pyridin-3-yl)prop-2-enamide

KL6

KL6
Name:	1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
Formula:	C12 H19 N3 O4 S2
SMILES:	NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1
InChi:	InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide

KLR

KLR
Name:	(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
Formula:	C20 H24 N4 O
SMILES:	CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1
InChi:	InChI=1S/C20H24N4O/c1-20(2,3)24-19(25)18(16-7-5-13-22-14-16)23-17-10-8-15(9-11-17)6-4-12-21/h5,7-11,13-14,18,23H,4,6H2,1-3H3,(H,24,25)/t18-/m0/s1
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide

M93

M93
Name:	(4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C16 H15 Cl N2 O3
SMILES:	OCc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C16H15ClN2O3/c17-11-1-2-15-13(7-11)12(4-6-22-15)16(21)19-14-8-18-5-3-10(14)9-20/h1-3,5,7-8,12,20H,4,6,9H2,(H,19,21)/t12-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

M9P

M9P
Name:	amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
Formula:	C7 H16 F3 N4 O
SMILES:	FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1
Definition date:	2013-09-18
Last modified:	2023-11-03
Release date:	2014-07-08
Identifier:	amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium

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