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LUC

LUC
Name:	2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C17 H16 Cl N3 O3
SMILES:	Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1
InChi:	InChI=1S/C17H16ClN3O3/c1-10-2-3-19-9-14(10)20-15(22)6-11-4-12(18)7-13(5-11)24-17-8-16(23)21-17/h2-5,7,9,17H,6,8H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide

4V0

4V0
Name:	3-(3H-azepin-5-yl)-L-alanine
Formula:	C9 H12 N2 O2
SMILES:	NC(C(=O)O)CC1=CCC=NC=C1
InChi:	InChI=1S/C9H12N2O2/c10-8(9(12)13)6-7-2-1-4-11-5-3-7/h2-5,8H,1,6,10H2,(H,12,13)/t8-/m0/s1
Definition date:	2015-06-03
Last modified:	2023-11-03
Release date:	2016-07-13
Identifier:	3-(3H-azepin-5-yl)-L-alanine

LV8

LV8
Name:	(2~{S})-3-acetamido-2-azanyl-propanoic acid
Formula:	C5 H10 N2 O3
SMILES:	CC(=O)NC[CH](N)C(O)=O
InChi:	InChI=1S/C5H10N2O3/c1-3(8)7-2-4(6)5(9)10/h4H,2,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
Definition date:	2019-09-13
Last modified:	2023-11-03
Release date:	2019-10-30
Identifier:	(2~{S})-3-acetamido-2-azanyl-propanoic acid

LV9

LV9
Name:	N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea
Formula:	C18 H21 N3 O2
SMILES:	O=C(NC1(CCOCC1)Cc1ccccc1)Nc1cccnc1
InChi:	InChI=1S/C18H21N3O2/c22-17(20-16-7-4-10-19-14-16)21-18(8-11-23-12-9-18)13-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H2,20,21,22)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea

LVM

LVM
Name:	N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide
Formula:	C14 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)CC1CC2(CC2)C1
InChi:	InChI=1S/C14H18N2O/c1-10-2-5-15-9-12(10)16-13(17)6-11-7-14(8-11)3-4-14/h2,5,9,11H,3-4,6-8H2,1H3,(H,16,17)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide

LW6

LW6
Name:	1H-indole-4-carbaldehyde
Formula:	C9 H7 N O
SMILES:	O=Cc1cccc2[NH]ccc12
InChi:	InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1H-indole-4-carbaldehyde

4WQ

4WQ
Name:	(2S)-2-amino-7,7-dimethyloctanoic acid
Formula:	C10 H21 N O2
SMILES:	NC(C(=O)O)CCCCC(C)(C)C
InChi:	InChI=1S/C10H21NO2/c1-10(2,3)7-5-4-6-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t8-/m0/s1
Definition date:	2015-06-12
Last modified:	2023-11-03
Release date:	2015-07-01
Identifier:	(2S)-2-amino-7,7-dimethyloctanoic acid

LWI

LWI
Name:	2-(aminomethyl)-L-phenylalanine
Formula:	C10 H14 N2 O2
SMILES:	NC(Cc1ccccc1CN)C(O)=O
InChi:	InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1
Definition date:	2020-06-09
Last modified:	2023-11-03
Release date:	2021-03-31
Identifier:	2-(aminomethyl)-L-phenylalanine

LWO

LWO
Name:	2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
Formula:	C20 H19 N5 O S
SMILES:	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC)cc1
InChi:	InChI=1S/C20H19N5OS/c1-21-16-6-8-17(9-7-16)24(12-15-10-11-27-14-15)20(26)13-25-19-5-3-2-4-18(19)22-23-25/h2-11,14,21H,12-13H2,1H3
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide

LXF

LXF
Name:	N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide
Formula:	C17 H17 N3 O3 S2
SMILES:	O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O
InChi:	InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide

LYH

LYH
Name:	3,4 ENE-LYSINE
Formula:	C6 H12 N2 O2
SMILES:	O=C(O)C(/C=C/CCN)N
InChi:	InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1
Synonyms:	(2S,3E)-2,6-DIAMINOHEX-3-ENOIC ACID
Definition date:	2011-03-14
Last modified:	2023-11-03
Release date:	2012-08-24
Identifier:	(2S,3E)-2,6-diaminohex-3-enoic acid

LYV

LYV
Name:	O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide
Formula:	C9 H19 N4 O8 P
SMILES:	O=P(OCC(C(=O)NCC(=O)NCCC(C(=O)O)N)N)(O)O
InChi:	InChI=1S/C9H19N4O8P/c10-5(9(16)17)1-2-12-7(14)3-13-8(15)6(11)4-21-22(18,19)20/h5-6H,1-4,10-11H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)/t5-,6-/m0/s1
Definition date:	2013-12-06
Last modified:	2023-11-03
Release date:	2014-12-03
Identifier:	O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide

LZX

LZX
Name:	(2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide
Formula:	C16 H19 N3 O3 S
SMILES:	O=C(Nc1cccnc1)C(CCNS(C)(=O)=O)c1ccccc1
InChi:	InChI=1S/C16H19N3O3S/c1-23(21,22)18-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-17-12-14/h2-8,10,12,15,18H,9,11H2,1H3,(H,19,20)/t15-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide

M0G

M0G
Name:	(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide
Formula:	C16 H17 Cl N2 O2
SMILES:	O=C(Nc1cnccc1C)C(O)(CC)c1cccc(Cl)c1
InChi:	InChI=1S/C16H17ClN2O2/c1-3-16(21,12-5-4-6-13(17)9-12)15(20)19-14-10-18-8-7-11(14)2/h4-10,21H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide

M0X

M0X
Name:	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
Formula:	C21 H21 N5 O S
SMILES:	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C
InChi:	InChI=1S/C21H21N5OS/c1-24(2)17-7-9-18(10-8-17)25(13-16-11-12-28-15-16)21(27)14-26-20-6-4-3-5-19(20)22-23-26/h3-12,15H,13-14H2,1-2H3
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide

51T

51T
Name:	2,3,6-trifluoro-L-tyrosine
Formula:	C9 H8 F3 N O3
SMILES:	NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O
InChi:	InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1
Definition date:	2015-07-13
Last modified:	2023-11-03
Release date:	2016-06-22
Identifier:	2,3,6-trifluoro-L-tyrosine

QKI

QKI
Name:	(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H12 Cl2 N2 O2
SMILES:	Clc1ccc(cc1Cl)C(O)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H12Cl2N2O2/c18-13-6-5-10(7-14(13)19)16(22)17(23)21-15-9-20-8-11-3-1-2-4-12(11)15/h1-9,16,22H,(H,21,23)/t16-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide

QKR

QKR
Name:	2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H10 Cl2 F2 N2 O
SMILES:	Clc1ccc(cc1Cl)C(F)(F)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H10Cl2F2N2O/c18-13-6-5-11(7-14(13)19)17(20,21)16(24)23-15-9-22-8-10-3-1-2-4-12(10)15/h1-9H,(H,23,24)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide

QL3

QL3
Name:	N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide
Formula:	C25 H21 Cl N4 O2
SMILES:	O=C(C)Nc1ccc(cn1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21
InChi:	InChI=1S/C25H21ClN4O2/c1-17(31)29-24-10-9-22(15-28-24)30(16-18-5-4-7-21(26)11-18)25(32)12-20-14-27-13-19-6-2-3-8-23(19)20/h2-11,13-15H,12,16H2,1H3,(H,28,29,31)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide

QLC

QLC
Name:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
Formula:	C20 H18 Cl2 N2 O3
SMILES:	Clc1ccc(cc1Cl)C(OCCOC)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H18Cl2N2O3/c1-26-8-9-27-19(13-6-7-16(21)17(22)10-13)20(25)24-18-12-23-11-14-4-2-3-5-15(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,24,25)/t19-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide

QLO

QLO
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C22 H20 Cl N3 O3
SMILES:	CNC(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C22H20ClN3O3/c1-24-20(27)11-22(8-9-29-19-7-6-15(23)10-17(19)22)21(28)26-18-13-25-12-14-4-2-3-5-16(14)18/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,27)(H,26,28)/t22-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QM3

QM3
Name:	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
Formula:	C21 H15 Cl N2 O3
SMILES:	Clc1ccc2OCCC3(CC(=O)N(C3=O)c3cncc4ccccc43)c2c1
InChi:	InChI=1S/C21H15ClN2O3/c22-14-5-6-18-16(9-14)21(7-8-27-18)10-19(25)24(20(21)26)17-12-23-11-13-3-1-2-4-15(13)17/h1-6,9,11-12H,7-8,10H2/t21-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione

54C

54C
Name:	(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan
Formula:	C16 H20 N2 O4
SMILES:	C(C(=O)O)(N)C(c1cn(c2c1cccc2)C(C)(C)C3CO3)O
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+/m0/s1
Definition date:	2015-07-23
Last modified:	2023-11-03
Release date:	2015-10-28
Identifier:	(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan

QM8

QM8
Name:	6-Sulfanyl-L-norleucine
Formula:	C6 H13 N O2 S
SMILES:	N[CH](CCCCS)C(O)=O
InChi:	InChI=1S/C6H13NO2S/c7-5(6(8)9)3-1-2-4-10/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1
Synonyms:	(2S)-2-azanyl-6-sulfanyl-hexanoic acid
Definition date:	2020-06-30
Last modified:	2023-11-03
Release date:	2022-01-26
Identifier:	(2~{S})-2-azanyl-6-sulfanyl-hexanoic acid

QM9

QM9
Name:	(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H16 Cl N3 O2
SMILES:	Clc1ccc2OCCC(N)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H16ClN3O2/c20-13-5-6-17-15(9-13)19(21,7-8-25-17)18(24)23-16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8,21H2,(H,23,24)/t19-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

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