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CPN

CPN
Name:	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE
Formula:	C10 H16 N5 O4
SMILES:	O=C(N(CC(=O)O)CC[NH3+])CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	2-{[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl](carboxymethyl)amino}ethanaminium

CQ1

CQ1
Name:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C15 H16 N6 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(/N=[N+]=[N-])cc2
InChi:	InChI=1S/C15H16N6O4/c1-8(22)13(16)14-18-11(15(25)21(14)7-12(23)24)6-9-2-4-10(5-3-9)19-20-17/h2-6,8,13,22H,7,16H2,1H3,(H,23,24)/b11-6-/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2013-02-21
Last modified:	2023-11-03
Release date:	2013-06-26
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

CQ2

CQ2
Name:	{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H18 N4 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=Cc2ccc(N)cc2
InChi:	InChI=1S/C15H18N4O4/c1-8(20)13(17)14-18-11(15(23)19(14)7-12(21)22)6-9-2-4-10(16)5-3-9/h2-6,8,13,20H,7,16-17H2,1H3,(H,21,22)/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2013-02-21
Last modified:	2023-11-03
Release date:	2013-06-26
Identifier:	{(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

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

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

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

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

3MY

3MY
Name:	3-chloro-D-tyrosine
Formula:	C9 H10 Cl N O3
SMILES:	Clc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
Definition date:	2009-03-27
Last modified:	2023-11-03
Identifier:	3-chloro-D-tyrosine

3QN

3QN
Name:	(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine
Formula:	C15 H23 N2 O7 P
SMILES:	O=C(O)C(N)CCCC/N=C/c1c(ccc(c1O)C)COP(=O)(O)O
InChi:	InChI=1S/C15H23N2O7P/c1-10-5-6-11(9-24-25(21,22)23)12(14(10)18)8-17-7-3-2-4-13(16)15(19)20/h5-6,8,13,18H,2-4,7,9,16H2,1H3,(H,19,20)(H2,21,22,23)/b17-8+/t13-/m0/s1
Definition date:	2011-02-09
Last modified:	2023-11-03
Identifier:	(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine

3TY

3TY
Name:	3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE
Formula:	C16 H17 N3 O4
SMILES:	O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N
InChi:	InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1
Definition date:	2004-08-11
Last modified:	2023-11-03
Identifier:	3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

3U0

3U0
Name:	2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid
Formula:	C10 H13 N3 O2
SMILES:	NC(=N)NCc1ccc(CC(O)=O)cc1
InChi:	InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)
Synonyms:	2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid
Definition date:	2014-10-24
Last modified:	2023-11-03
Release date:	2022-10-19
Identifier:	2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid

3V3

3V3
Name:	1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid
Formula:	C11 H23 N O6
SMILES:	O=C(O)CCOCCOCCOCCOCCN
InChi:	InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
Definition date:	2014-11-09
Last modified:	2023-11-03
Release date:	2015-02-11
Identifier:	1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid

3V8

3V8
Name:	(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline
Formula:	C10 H14 N4 O4
SMILES:	O=C(O)C2NCC(n1nnc(c1)CCC(=O)O)C2
InChi:	InChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1
Definition date:	2014-11-12
Last modified:	2023-11-03
Release date:	2015-03-04
Identifier:	(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline

3WT

3WT
Name:	(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid
Formula:	C10 H21 N O3
SMILES:	O=C(O)CC(OC)C(NC)C(C)CC
InChi:	InChI=1S/C10H21NO3/c1-5-7(2)10(11-3)8(14-4)6-9(12)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13)/t7-,8+,10-/m0/s1
Definition date:	2014-12-01
Last modified:	2023-11-03
Release date:	2015-03-25
Identifier:	(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid

3YM

3YM
Name:	3-methoxy-L-tyrosine
Formula:	C10 H13 N O4
SMILES:	O=C(O)C(N)Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
Definition date:	2012-10-29
Last modified:	2023-11-03
Release date:	2013-10-30
Identifier:	3-methoxy-L-tyrosine

7MD

7MD
Name:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine
Formula:	C17 H27 N8 O9 P
SMILES:	O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1
Definition date:	2011-09-11
Last modified:	2023-11-03
Identifier:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine

7N8

7N8
Name:	4-Borono-L-phenylalanine
Formula:	C9 H12 B N O4
SMILES:	N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
InChi:	InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-11-24
Last modified:	2023-11-03
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid

7QK

7QK
Name:	N~6~-acetyl-N~6~-methyl-L-lysine
Formula:	C9 H18 N2 O3
SMILES:	NC(CCCCN(C)C(C)=O)C(=O)O
InChi:	InChI=1S/C9H18N2O3/c1-7(12)11(2)6-4-3-5-8(10)9(13)14/h8H,3-6,10H2,1-2H3,(H,13,14)/t8-/m0/s1
Definition date:	2021-08-17
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	N~6~-acetyl-N~6~-methyl-L-lysine

7R0

7R0
Name:	2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H17 N5 O4
SMILES:	N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:	InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2021-08-21
Last modified:	2023-11-03
Release date:	2021-09-01
Identifier:	2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

7R6

7R6
Name:	2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H14 N4 O4
SMILES:	OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3
InChi:	InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+
Synonyms:	RED CHROMOPHORE (HIS, TYR, GLY)
Definition date:	2021-08-21
Last modified:	2023-11-03
Release date:	2021-09-01
Identifier:	2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

7SF

7SF
Name:	4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid
Formula:	C7 H4 Cl F3 O3 S
SMILES:	O[S](=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
InChi:	InChI=1S/C7H4ClF3O3S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H,12,13,14)
Definition date:	2022-02-28
Last modified:	2023-11-03
Release date:	2022-10-05
Identifier:	4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid

7T2

7T2
Name:	(2S)-3-(4-chlorophenyl)-2-(methylamino)propanoic acid
Formula:	C10 H12 Cl N O2
SMILES:	CN[CH](Cc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C10H12ClNO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m0/s1
Definition date:	2021-10-22
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-3-(4-chlorophenyl)-2-(methylamino)propanoic acid

7VU

7VU
Name:	(2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid
Formula:	C12 H17 N O2
SMILES:	CCN[CH](Cc1ccc(C)cc1)C(O)=O
InChi:	InChI=1S/C12H17NO2/c1-3-13-11(12(14)15)8-10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3,(H,14,15)/t11-/m0/s1
Definition date:	2021-10-29
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-(ethylamino)-3-(4-methylphenyl)propanoic acid

7W2

7W2
Name:	(2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H10 F5 N O2
SMILES:	N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H10F5NO2/c12-6-3-5(1-2-8(17)10(18)19)4-7(13)9(6)11(14,15)16/h3-4,8H,1-2,17H2,(H,18,19)/t8-/m0/s1
Definition date:	2021-10-29
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid

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