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02Y

02Y
Name:	6-diazonio-5-oxo-L-norleucine
Formula:	C6 H10 N3 O3
SMILES:	O=C(CCC(N)C(=O)O)C[N+]#N
InChi:	InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2/p+1/t5-/m0/s1
Definition date:	2011-07-18
Last modified:	2024-09-27
Identifier:	6-diazonio-5-oxo-L-norleucine

03E

03E
Name:	1-aminocycloheptanecarboxylic acid
Formula:	C8 H15 N O2
SMILES:	O=C(O)C1(N)CCCCCC1
InChi:	InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
Definition date:	2011-08-14
Last modified:	2024-09-27
Identifier:	1-aminocycloheptanecarboxylic acid

03O

03O
Name:	4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
Formula:	C15 H18 N6 O3
SMILES:	O=C(O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C
InChi:	InChI=1S/C15H18N6O3/c1-21-10(6-17-9-4-2-8(3-5-9)14(23)24)7-18-12-11(21)13(22)20-15(16)19-12/h2-5,10,17H,6-7H2,1H3,(H,23,24)(H4,16,18,19,20,22)/t10-/m0/s1
Synonyms:	5-methyl tetrahydropteroic acid
Definition date:	2011-11-04
Last modified:	2024-09-27
Identifier:	4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid

03S

03S
Name:	methanesulfonic acid
Formula:	C H4 O3 S
SMILES:	O=S(=O)(O)C
InChi:	InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
Definition date:	2011-09-30
Last modified:	2024-09-27
Identifier:	methanesulfonic acid

03Y

03Y
Name:	2-methyl-L-cysteine
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(N)(C)CS
InChi:	InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m0/s1
Definition date:	2011-05-04
Last modified:	2024-09-27
Identifier:	2-methyl-L-cysteine

042

042
Name:	N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
Formula:	C16 H26 N2 O8
SMILES:	O=C(NC(C(=O)NC(C(=O)O)C(C)CC)C(O)C)C1OC1C(=O)OCC
InChi:	InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7-,8+,9-,10-,11-,12-/m0/s1
Synonyms:	CA042
Definition date:	2006-01-04
Last modified:	2024-09-27
Identifier:	N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-threonyl-L-isoleucine

049

049
Name:	2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol
Formula:	C14 H19 N O3
SMILES:	O=C(NC(C(O)C1(OC1)C)Cc2ccccc2)C
InChi:	InChI=1S/C14H19NO3/c1-10(16)15-12(13(17)14(2)9-18-14)8-11-6-4-3-5-7-11/h3-7,12-13,17H,8-9H2,1-2H3,(H,15,16)/t12-,13+,14+/m0/s1
Definition date:	2011-11-18
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol

04C

04C
Name:	1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol
Formula:	C31 H44 N4 O7
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(C)CO)Cc2ccc(OC)cc2)C)CN3CCOCC3
InChi:	InChI=1S/C31H44N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h4-12,21-22,26-27,29,36,38H,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22+,26+,27+,29+/m1/s1
Definition date:	2011-12-29
Last modified:	2024-09-27
Identifier:	1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol

04D

04D
Name:	(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol
Formula:	C9 H21 N O2
SMILES:	OCC(C(O)C(N)CC(C)C)C
InChi:	InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9-/m1/s1
Definition date:	2012-01-10
Last modified:	2024-09-27
Identifier:	(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol

04E

04E
Name:	iodoacetic acid
Formula:	C2 H3 I O2
SMILES:	ICC(=O)O
InChi:	InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
Definition date:	2012-05-07
Last modified:	2024-09-27
Identifier:	iodoacetic acid

04Q

04Q
Name:	N-benzylglycine
Formula:	C9 H11 N O2
SMILES:	O=C(O)CNCc1ccccc1
InChi:	InChI=1S/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
Definition date:	2012-06-22
Last modified:	2024-09-27
Identifier:	N-benzylglycine

04X

04X
Name:	(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
Formula:	C11 H18 N2 O3
SMILES:	O=C(O)C1NCC(=CC1)CN2CCOCC2
InChi:	InChI=1S/C11H18N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1,10,12H,2-8H2,(H,14,15)/t10-/m0/s1
Definition date:	2014-06-19
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid

05N

05N
Name:	(3R,4R)-4-hydroxy-3-methyl-L-proline
Formula:	C6 H11 N O3
SMILES:	O=C(O)C1NCC(O)C1C
InChi:	InChI=1S/C6H11NO3/c1-3-4(8)2-7-5(3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1
Definition date:	2012-10-25
Last modified:	2024-09-27
Release date:	2012-12-21
Identifier:	(3R,4R)-4-hydroxy-3-methyl-L-proline

05O

05O
Name:	(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal
Formula:	C10 H10 F3 N O3
SMILES:	FC(F)(F)Oc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
Definition date:	2021-06-02
Last modified:	2024-09-27
Release date:	2021-09-29
Identifier:	O-(trifluoromethyl)-L-tyrosine

05W

05W
Name:	(2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol
Formula:	C9 H21 N O2
SMILES:	CC(C)C[CH](N)[CH](O)[CH](C)CO
InChi:	InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9+/m1/s1
Definition date:	2012-12-10
Last modified:	2024-09-27
Release date:	2014-02-12
Identifier:	(2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol

05Y

05Y
Name:	~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
Formula:	C17 H18 N4 O
SMILES:	CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3
InChi:	InChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22)
Definition date:	2021-06-03
Last modified:	2024-09-27
Release date:	2022-04-06
Identifier:	~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide

060

060
Name:	S-methyl-D-cysteine
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(N)CSC
InChi:	InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
Definition date:	2013-01-25
Last modified:	2024-09-27
Release date:	2013-03-20
Identifier:	S-methyl-D-cysteine

06D

06D
Name:	1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
Formula:	C14 H19 N O2
SMILES:	CCC(=O)N1CCC[CH]1c2ccc(OC)cc2
InChi:	InChI=1S/C14H19NO2/c1-3-14(16)15-10-4-5-13(15)11-6-8-12(17-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1
Definition date:	2021-06-03
Last modified:	2024-09-27
Release date:	2022-04-06
Identifier:	1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

06E

06E
Name:	6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
Formula:	C16 H17 Br N4 O3 S
SMILES:	OC(=O)CCCCCNCC1=Nc2c(sc3cc(Br)cnc23)C(=O)N1
InChi:	InChI=1S/C16H17BrN4O3S/c17-9-6-10-13(19-7-9)14-15(25-10)16(24)21-11(20-14)8-18-5-3-1-2-4-12(22)23/h6-7,18H,1-5,8H2,(H,22,23)(H,20,21,24)
Definition date:	2021-05-28
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid

06Q

06Q
Name:	N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
Formula:	C34 H35 F N4 O6
SMILES:	O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5
InChi:	InChI=1S/C34H35FN4O6/c35-25-14-12-21(13-15-25)17-27(39-33(43)29-19-23-9-4-5-11-28(23)45-29)32(42)38-26(18-24-10-6-16-36-31(24)41)30(40)34(44)37-20-22-7-2-1-3-8-22/h1-5,7-9,11-15,19,24,26-27,30,40H,6,10,16-18,20H2,(H,36,41)(H,37,44)(H,38,42)(H,39,43)/t24-,26-,27-,30-/m0/s1
Definition date:	2022-09-29
Last modified:	2024-09-27
Release date:	2023-06-07
Identifier:	~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide

074

074
Name:	[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINE
Formula:	C18 H31 N3 O6
SMILES:	O=C(N1C(C(=O)O)CCC1)C(NC(=O)CC(O)C(=O)NCCC)C(C)CC
InChi:	InChI=1S/C18H31N3O6/c1-4-8-19-16(24)13(22)10-14(23)20-15(11(3)5-2)17(25)21-9-6-7-12(21)18(26)27/h11-13,15,22H,4-10H2,1-3H3,(H,19,24)(H,20,23)(H,26,27)/t11-,12-,13-,15-/m0/s1
Synonyms:	CA-074
Definition date:	1999-07-12
Last modified:	2024-09-27
Identifier:	N-[(3S)-3-hydroxy-4-oxo-4-(propylamino)butanoyl]-L-isoleucyl-L-proline

07E

07E
Name:	(3S)-3-hydroxybutyl beta-D-xylopyranoside
Formula:	C9 H18 O6
SMILES:	O(CCC(O)C)C1OCC(O)C(O)C1O
InChi:	InChI=1S/C9H18O6/c1-5(10)2-3-14-9-8(13)7(12)6(11)4-15-9/h5-13H,2-4H2,1H3/t5-,6+,7-,8+,9+/m0/s1
Synonyms:	(3S)-3-hydroxybutyl beta-D-xyloside
Definition date:	2011-09-23
Last modified:	2024-09-27
Release date:	2017-07-12
Identifier:	(3S)-3-hydroxybutyl beta-D-xylopyranoside

07O

07O
Name:	S-[(2S)-2-phenylpropanoyl]-L-cysteine
Formula:	C12 H15 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)C(c1ccccc1)C
InChi:	InChI=1S/C12H15NO3S/c1-8(9-5-3-2-4-6-9)12(16)17-7-10(13)11(14)15/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10-/m0/s1
Definition date:	2011-09-30
Last modified:	2024-09-27
Identifier:	S-[(2S)-2-phenylpropanoyl]-L-cysteine

08M

08M
Name:	N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine
Formula:	C10 H14 N4 O3
SMILES:	O=C(NCCCC(C(=O)O)N)c1nccnc1
InChi:	InChI=1S/C10H14N4O3/c11-7(10(16)17)2-1-3-14-9(15)8-6-12-4-5-13-8/h4-7H,1-3,11H2,(H,14,15)(H,16,17)/t7-/m0/s1
Definition date:	2011-10-13
Last modified:	2024-09-27
Identifier:	N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine

08Q

08Q
Name:	5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
Formula:	C12 H20 N3 O7 P S
SMILES:	O=P(O)(OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O)NCCS
InChi:	InChI=1S/C12H20N3O7PS/c1-7-5-15(12(18)14-11(7)17)10-4-8(16)9(22-10)6-21-23(19,20)13-2-3-24/h5,8-10,16,24H,2-4,6H2,1H3,(H2,13,19,20)(H,14,17,18)/t8-,9+,10-/m0/s1
Definition date:	2011-10-15
Last modified:	2024-09-27
Identifier:	5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine

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