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56C

56C
Name:	N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine
Formula:	C14 H30 N7 O5
SMILES:	NC(C(=O)O)CCCNC(=N)NCCOCCOCCOCC/N=[N+]=N
InChi:	InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1
Definition date:	2015-08-03
Last modified:	2023-11-03
Release date:	2018-03-14
Identifier:	N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine

NYB

NYB
Name:	N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE
Formula:	C8 H17 N O2 S
SMILES:	O=C(O)C(NC)CSC(CC)C
InChi:	InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
Definition date:	2010-07-14
Last modified:	2023-11-03
Identifier:	N-methyl-S-[(1R)-1-methylpropyl]-L-cysteine

NYG

NYG
Name:	[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C15 H16 N4 O5
SMILES:	O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (ASN-TYR-GLY)
Definition date:	2007-01-19
Last modified:	2023-11-03
Identifier:	{(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

NYR

NYR
Name:	N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide
Formula:	C12 H12 Cl N3 O
SMILES:	O=C(Cc1c[NH]nc1C)Nc1cccc(Cl)c1
InChi:	InChI=1S/C12H12ClN3O/c1-8-9(7-14-16-8)5-12(17)15-11-4-2-3-10(13)6-11/h2-4,6-7H,5H2,1H3,(H,14,16)(H,15,17)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide

NZC

NZC
Name:	N-methylidene-L-threonine
Formula:	C5 H11 N O3
SMILES:	O=C(O)C(NC)C(O)C
InChi:	InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4+/m1/s1
Definition date:	2015-02-05
Last modified:	2023-11-03
Release date:	2015-06-03
Identifier:	N-methyl-L-threonine

NZK

NZK
Name:	2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H20 N4 O2
SMILES:	O=C(CN1CCN(CC1)C(C)=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H20N4O2/c1-13(22)21-8-6-20(7-9-21)12-17(23)19-16-11-18-10-14-4-2-3-5-15(14)16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide

O0C

O0C
Name:	2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2cnccc21
InChi:	InChI=1S/C16H12ClN3O/c17-13-3-1-2-11(6-13)7-16(21)20-15-10-19-9-12-8-18-5-4-14(12)15/h1-6,8-10H,7H2,(H,20,21)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide

O0R

O0R
Name:	2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide
Formula:	C16 H15 Cl N2 O
SMILES:	O=C(Nc1cnccc1C1CC1)Cc1cccc(Cl)c1
InChi:	InChI=1S/C16H15ClN2O/c17-13-3-1-2-11(8-13)9-16(20)19-15-10-18-7-6-14(15)12-4-5-12/h1-3,6-8,10,12H,4-5,9H2,(H,19,20)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide

O0X

O0X
Name:	2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2ncccc21
InChi:	InChI=1S/C16H12ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1-7,9-10H,8H2,(H,20,21)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide

O1I

O1I
Name:	(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide
Formula:	C15 H15 Cl N2 O2
SMILES:	O=C(Nc1cnccc1C)C(CO)c1cccc(Cl)c1
InChi:	InChI=1S/C15H15ClN2O2/c1-10-5-6-17-8-14(10)18-15(20)13(9-19)11-3-2-4-12(16)7-11/h2-8,13,19H,9H2,1H3,(H,18,20)/t13-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide

O1X

O1X
Name:	(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C10 H12 F2 N2 O2
SMILES:	O=C(Nc1cnccc1C)C(C)OC(F)F
InChi:	InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide

O2R

O2R
Name:	2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C18 H21 Cl N2 O2
SMILES:	O=C(Nc1cnccc1C)Cc1cc(Cl)ccc1OCCCC
InChi:	InChI=1S/C18H21ClN2O2/c1-3-4-9-23-17-6-5-15(19)10-14(17)11-18(22)21-16-12-20-8-7-13(16)2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide

5BV

5BV
Name:	(2R,3R)-3-(glycyloxy)-2-methylnonanoic acid
Formula:	C12 H23 N O4
SMILES:	O=C(OC(C(C)C(=O)O)CCCCCC)CN
InChi:	InChI=1S/C12H23NO4/c1-3-4-5-6-7-10(9(2)12(15)16)17-11(14)8-13/h9-10H,3-8,13H2,1-2H3,(H,15,16)/t9-,10-/m1/s1
Definition date:	2015-09-03
Last modified:	2023-11-03
Release date:	2016-03-02
Identifier:	(2R,3R)-3-(glycyloxy)-2-methylnonanoic acid

O3I

O3I
Name:	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide
Formula:	C21 H17 Cl F2 N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cc(cc(Cl)c1)c1ccc(C)c(F)c1F
InChi:	InChI=1S/C21H17ClF2N2O/c1-12-5-6-25-11-18(12)26-19(27)9-14-7-15(10-16(22)8-14)17-4-3-13(2)20(23)21(17)24/h3-8,10-11H,9H2,1-2H3,(H,26,27)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide

O3U

O3U
Name:	N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide
Formula:	C15 H18 N4 O S
SMILES:	CC(=O)NC1=NC(SC)=C(C#N)C2(CCCCC2)C1C#N
InChi:	InChI=1S/C15H18N4OS/c1-10(20)18-13-11(8-16)15(6-4-3-5-7-15)12(9-17)14(19-13)21-2/h11H,3-7H2,1-2H3,(H,18,19,20)/t11-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide

5CT

5CT
Name:	Hypusine
Formula:	C10 H23 N3 O3
SMILES:	C(CCNCC(O)CCN)CC(C(=O)O)N
InChi:	InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1
Synonyms:	N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine
Definition date:	2015-09-07
Last modified:	2023-11-03
Release date:	2016-01-20
Identifier:	N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine

5CW

5CW
Name:	5-chloro-L-tryptophan
Formula:	C11 H11 Cl N2 O2
SMILES:	O=C(O)C(N)Cc2c1cc(Cl)ccc1nc2
InChi:	InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:	2013-12-09
Last modified:	2023-11-03
Release date:	2014-03-05
Identifier:	5-chloro-L-tryptophan

O4L

O4L
Name:	N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Formula:	C17 H16 N4 O3
SMILES:	CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc32)c1C
InChi:	InChI=1S/C17H16N4O3/c1-9-8-14(11(3)22)10(2)21(9)20-17(24)15-12-6-4-5-7-13(12)16(23)19-18-15/h4-8H,1-3H3,(H,19,23)(H,20,24)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

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:	2023-11-03
Release date:	2016-02-03
Identifier:	4-ethynyl-L-phenylalanine

O5C

O5C
Name:	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
Formula:	C18 H14 F N O2
SMILES:	Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
InChi:	InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one

O65

O65
Name:	3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
Formula:	C10 H12 O4
SMILES:	Cc1c(CO)cc(cc1CO)C(O)=O
InChi:	InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14)
Definition date:	2020-02-10
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	3,5-bis(hydroxymethyl)-4-methyl-benzoic acid

O7D

O7D
Name:	4-methoxy-N-methyl-L-tryptophan
Formula:	C13 H16 N2 O3
SMILES:	CNC(Cc1cnc2cccc(c12)OC)C(=O)O
InChi:	InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1
Definition date:	2019-06-17
Last modified:	2023-11-03
Release date:	2020-05-13
Identifier:	4-methoxy-N-methyl-L-tryptophan

O7G

O7G
Name:	N,N-dimethyl-L-valine
Formula:	C7 H15 N O2
SMILES:	N(C)(C)C(C(=O)O)C(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1
Definition date:	2019-06-17
Last modified:	2023-11-03
Release date:	2020-05-13
Identifier:	N,N-dimethyl-L-valine

5GG

5GG
Name:	Deoxyhypusine
Formula:	C10 H23 N3 O2
SMILES:	NC(C(=O)O)CCCCNCCCCN
InChi:	InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1
Definition date:	2015-09-23
Last modified:	2023-11-03
Release date:	2016-01-20
Identifier:	N~6~-(4-aminobutyl)-L-lysine

5GM

5GM
Name:	(4S)-2,4-dimethyl-L-norleucine
Formula:	C8 H17 N O2
SMILES:	NC(C(=O)O)(CC(C)CC)C
InChi:	InChI=1S/C8H17NO2/c1-4-6(2)5-8(3,9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-,8-/m0/s1
Definition date:	2015-09-24
Last modified:	2023-11-03
Release date:	2016-07-20
Identifier:	(4S)-2,4-dimethyl-L-norleucine

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