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B2A

B2A
Name:	ALANINE BORONIC ACID
Formula:	C2 H8 B N O2
SMILES:	OB(O)C(N)C
InChi:	InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-aminoethyl]boronic acid

B2C

B2C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 Br N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(Br)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16BrN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

TSY

TSY
Name:	(2S)-2-amino-3-trisulfanylpropanoic acid
Formula:	C3 H7 N O2 S3
SMILES:	O=C(O)C(N)CSSS
InChi:	InChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	2013-04-24
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	3-trisulfanyl-L-alanine

B2F

B2F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

B2H

B2H
Name:	Chromophore (Thr, Trp, Gly)
Formula:	C17 H20 N4 O4
SMILES:	C[CH](O)[CH](N)c1nc(Cc2c[nH]c3ccccc23)c(O)n1CC(O)=O
InChi:	InChI=1S/C17H20N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,15,19,22,25H,6,8,18H2,1H3,(H,23,24)/t9-,15+/m1/s1
Definition date:	2017-09-06
Last modified:	2024-09-27
Release date:	2017-11-29
Identifier:	2-[2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

B2I

B2I
Name:	ISOLEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)C(C)CC
InChi:	InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R,2R)-1-amino-2-methylbutyl]boronic acid

B2N

B2N
Name:	(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)CC(CN)C(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-2-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Definition date:	2016-01-22
Last modified:	2024-09-27
Release date:	2016-02-24
Identifier:	(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid

B2V

B2V
Name:	VALINE BORONIC ACID
Formula:	C4 H12 B N O2
SMILES:	OB(O)C(N)C(C)C
InChi:	InChI=1S/C4H12BNO2/c1-3(2)4(6)5(7)8/h3-4,7-8H,6H2,1-2H3/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-amino-2-methylpropyl]boronic acid

TTQ

TTQ
Name:	6-AMINO-7-HYDROXY-L-TRYPTOPHAN
Formula:	C11 H13 N3 O3
SMILES:	O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N
InChi:	InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1
Definition date:	2006-08-21
Last modified:	2024-09-27
Identifier:	6-amino-7-hydroxy-L-tryptophan

TTS

TTS
Name:	3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
Formula:	C17 H18 N2 O5
SMILES:	O=C2C=C(O)/C(=N/CCc1ccc(O)cc1)C=C2CC(C(=O)O)N
InChi:	InChI=1S/C17H18N2O5/c18-13(17(23)24)7-11-8-14(16(22)9-15(11)21)19-6-5-10-1-3-12(20)4-2-10/h1-4,8-9,13,20,22H,5-7,18H2,(H,23,24)/b19-14+/t13-/m0/s1
Definition date:	2005-09-06
Last modified:	2024-09-27
Identifier:	3-[(3E)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

B39

B39
Name:	[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
Formula:	C21 H25 N5 O4 S
SMILES:	O=S(=O)(OCC5CC(n2c1ncnc(c1cc2)NC4c3ccccc3CC4)CC5O)N
InChi:	InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
Definition date:	2009-04-17
Last modified:	2024-09-27
Identifier:	[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate

B3A

B3A
Name:	(3S)-3-AMINOBUTANOIC ACID
Formula:	C4 H9 N O2
SMILES:	O=C(O)CC(N)C
InChi:	InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3-aminobutanoic acid

B3D

B3D
Name:	3-AMINOPENTANEDIOIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)CC(N)CC(=O)O
InChi:	InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
Synonyms:	BETA-HOMOASPARTATE
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	3-aminopentanedioic acid

B3E

B3E
Name:	(3S)-3-AMINOHEXANEDIOIC ACID
Formula:	C6 H11 N O4
SMILES:	O=C(O)CCC(N)CC(=O)O
InChi:	InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3-aminohexanedioic acid

B3F

B3F
Name:	~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide
Formula:	C20 H26 N2 O2
SMILES:	CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1
InChi:	InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23)
Definition date:	2023-07-17
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide

B3G

B3G
Name:	(1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C22 H32 Cl N3 O8 S
SMILES:	C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(=O)(O)=O
InChi:	InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21+/m0/s1
Definition date:	2017-07-31
Last modified:	2024-09-27
Release date:	2018-04-04
Identifier:	(1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

B3J

B3J
Name:	(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C31 H48 N4 O10 S
SMILES:	C(CC1CCNC1=O)(C(O)S(=O)(O)=O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(OC(C)(C)C)=O)=O
InChi:	InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27-/m0/s1
Definition date:	2017-07-31
Last modified:	2024-09-27
Release date:	2018-04-04
Identifier:	(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

B3K

B3K
Name:	(3S)-3,7-DIAMINOHEPTANOIC ACID
Formula:	C7 H16 N2 O2
SMILES:	O=C(O)CC(N)CCCCN
InChi:	InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3,7-diaminoheptanoic acid

B3L

B3L
Name:	(3S)-3-amino-5-methylhexanoic acid
Formula:	C7 H15 N O2
SMILES:	O=C(O)CC(N)CC(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
Synonyms:	(S)-beta-3-homoleucine
Definition date:	2008-02-05
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-5-methylhexanoic acid

B3M

B3M
Name:	(3R)-3-amino-5-(methylsulfanyl)pentanoic acid
Formula:	C6 H13 N O2 S
SMILES:	O=C(O)CC(N)CCSC
InChi:	InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
Definition date:	2008-11-19
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-5-(methylsulfanyl)pentanoic acid

B3Q

B3Q
Name:	(3S)-3,6-diamino-6-oxohexanoic acid
Formula:	C6 H12 N2 O3
SMILES:	O=C(N)CCC(N)CC(=O)O
InChi:	InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1
Synonyms:	(S)-beta-3-homoglutamine
Definition date:	2008-02-05
Last modified:	2024-09-27
Identifier:	(3S)-3,6-diamino-6-oxohexanoic acid

B3S

B3S
Name:	(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID
Formula:	C4 H9 N O3
SMILES:	O=C(O)CC(N)CO
InChi:	InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-4-hydroxybutanoic acid

B3T

B3T
Name:	3-amino-2,3,5-trideoxy-D-threo-pentonic acid
Formula:	C5 H11 N O3
SMILES:	O=C(O)CC(N)C(O)C
InChi:	InChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4-/m1/s1
Definition date:	2008-11-10
Last modified:	2024-09-27
Identifier:	3-amino-2,3,5-trideoxy-D-threo-pentonic acid

B3U

B3U
Name:	2-amino-L-histidine
Formula:	C6 H10 N4 O2
SMILES:	O=C(O)C(N)Cc1cnc(N)n1
InChi:	InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
Definition date:	2007-11-07
Last modified:	2024-09-27
Identifier:	2-amino-L-histidine

B3X

B3X
Name:	(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)CC(N)CC(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3,5-diamino-5-oxopentanoic acid

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