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LYP

LYP
Name:	N~6~-METHYL-N~6~-PROPYL-L-LYSINE
Formula:	C10 H22 N2 O2
SMILES:	O=C(O)C(N)CCCCN(CCC)C
InChi:	InChI=1S/C10H22N2O2/c1-3-7-12(2)8-5-4-6-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
Definition date:	2007-03-28
Last modified:	2023-11-03
Identifier:	N~6~-methyl-N~6~-propyl-L-lysine

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

1ZN

1ZN
Name:	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
Formula:	C20 H29 N O3
SMILES:	O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C
InChi:	InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1
Definition date:	2008-12-11
Last modified:	2023-11-03
Identifier:	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid

M26

M26
Name:	N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
Formula:	C19 H18 Br F N2 O3
SMILES:	Brc1cccc(c1)C(COC)NC(=O)CC1c2cc(F)ccc2NC1=O
InChi:	InChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide

M2X

M2X
Name:	(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C15 H16 Br N3 O2
SMILES:	O=C(Nc1cnccc1C)C(N)c1cc(Br)ccc1OC
InChi:	InChI=1S/C15H16BrN3O2/c1-9-5-6-18-8-12(9)19-15(20)14(17)11-7-10(16)3-4-13(11)21-2/h3-8,14H,17H2,1-2H3,(H,19,20)/t14-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide

M3V

M3V
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C16 H16 N4 O4
SMILES:	NC(C2=NC(=[C@H]c1ccc(cc1)C#N)C(N2CC(O)=O)=O)C(O)C
InChi:	InChI=1S/C16H16N4O4/c1-9(21)14(18)15-19-12(16(24)20(15)8-13(22)23)6-10-2-4-11(7-17)5-3-10/h2-6,9,14,21H,8,18H2,1H3,(H,22,23)/b12-6-/t9-,14+/m1/s1
Definition date:	2019-03-21
Last modified:	2023-11-03
Release date:	2020-08-05
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

A1G

A1G
Name:	(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
Formula:	C12 H19 N O2
SMILES:	O=C(O)C(C13CC2CC(C1)CC(C2)C3)N
InChi:	InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1
Definition date:	2016-04-28
Last modified:	2023-11-03
Release date:	2017-05-10
Identifier:	(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid

M4L

M4L
Name:	(2S)-2-(3-bromophenyl)-2-hydroxy-N-(4-methoxypyridin-3-yl)acetamide
Formula:	C14 H13 Br N2 O3
SMILES:	O=C(Nc1cnccc1OC)C(O)c1cccc(Br)c1
InChi:	InChI=1S/C14H13BrN2O3/c1-20-12-5-6-16-8-11(12)17-14(19)13(18)9-3-2-4-10(15)7-9/h2-8,13,18H,1H3,(H,17,19)/t13-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3-bromophenyl)-2-hydroxy-N-(4-methoxypyridin-3-yl)acetamide

M50

M50
Name:	2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide
Formula:	C13 H12 Cl N3 O
SMILES:	Cc1cnncc1NC(=O)Cc1cccc(Cl)c1
InChi:	InChI=1S/C13H12ClN3O/c1-9-7-15-16-8-12(9)17-13(18)6-10-3-2-4-11(14)5-10/h2-5,7-8H,6H2,1H3,(H,15,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide

M5I

M5I
Name:	N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Cl N2 O
SMILES:	O=C(Cc1cnccc1C)Nc1cccc(Cl)c1
InChi:	InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-11(10)7-14(18)17-13-4-2-3-12(15)8-13/h2-6,8-9H,7H2,1H3,(H,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide

M5X

M5X
Name:	(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
Formula:	C8 H8 N2 O4 S
SMILES:	NS(=O)(=O)c1cc2c(cc1)NC(=O)C2O
InChi:	InChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide

A30

A30
Name:	O-ethyl-L-tyrosine
Formula:	C11 H15 N O3
SMILES:	CCOc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2021-11-04
Last modified:	2023-11-03
Release date:	2022-06-01
Identifier:	O-ethyl-L-tyrosine

M6I

M6I
Name:	N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea
Formula:	C12 H10 Cl N3 O
SMILES:	O=C(Nc1cccnc1)Nc1cccc(Cl)c1
InChi:	InChI=1S/C12H10ClN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea

M6U

M6U
Name:	N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide
Formula:	C15 H14 F3 N3 O
SMILES:	FC(F)(F)c1cccc(CC(=O)Nc2cnccc2CC)n1
InChi:	InChI=1S/C15H14F3N3O/c1-2-10-6-7-19-9-12(10)21-14(22)8-11-4-3-5-13(20-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,21,22)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide

A3U

A3U
Name:	4-acetamido-L-phenylalanine
Formula:	C11 H14 N2 O3
SMILES:	O=C(C)Nc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
Definition date:	2021-11-04
Last modified:	2023-11-03
Release date:	2022-06-01
Identifier:	4-acetamido-L-phenylalanine

M7X

M7X
Name:	2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Cl N2 O
SMILES:	O=C(Nc1cc(C)cnc1)Cc1cccc(Cl)c1
InChi:	InChI=1S/C14H13ClN2O/c1-10-5-13(9-16-8-10)17-14(18)7-11-3-2-4-12(15)6-11/h2-6,8-9H,7H2,1H3,(H,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide

A5R

A5R
Name:	amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
Formula:	C11 H23 N4 O3
SMILES:	O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1
Definition date:	2011-01-28
Last modified:	2023-11-03
Identifier:	amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium

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

M9U

M9U
Name:	(4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C15 H15 Cl N4 O2
SMILES:	Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1
InChi:	InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

MBQ

MBQ
Name:	2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
Formula:	C20 H22 N2 O6
SMILES:	O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2
InChi:	InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1
Definition date:	2004-03-04
Last modified:	2023-11-03
Identifier:	2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

AA1

AA1
Name:	[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID
Formula:	C8 H14 N2 O5
SMILES:	O=C(N(N)CC(=O)O)CCC(=O)OCC
InChi:	InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13)
Definition date:	2005-09-14
Last modified:	2023-11-03
Identifier:	[1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid

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