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AYA

AYA
Name:	N-ACETYLALANINE
Formula:	C5 H9 N O3
SMILES:	O=C(NC(C(=O)O)C)C
InChi:	InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-L-alanine

AYC

AYC
Name:	ALAREMYCIN 2
Formula:	C8 H13 N O4
SMILES:	O=C(C(NC(=O)C)C)CCC(=O)O
InChi:	InChI=1S/C8H13NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,9,10)(H,12,13)/t5-/m1/s1
Synonyms:	(5R)-5-ACETAMIDO-4-OXO-HEXANOIC ACID
Definition date:	2009-07-27
Last modified:	2024-09-27
Identifier:	(5R)-5-(acetylamino)-4-oxohexanoic acid

AZ0

AZ0
Name:	ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
Formula:	C30 H48 N4 O8
SMILES:	O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C30H48N4O8/c1-8-41-29(39)25(35)16-26(36)34(17-21(6)7)33-28(38)24(15-20(4)5)31-27(37)23(14-19(2)3)32-30(40)42-18-22-12-10-9-11-13-22/h9-13,19-21,23-25,35H,8,14-18H2,1-7H3,(H,31,37)(H,32,40)(H,33,38)/t23-,24-,25-/m0/s1
Definition date:	2009-03-18
Last modified:	2024-09-27
Identifier:	ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate

AZ1

AZ1
Name:	AZELAIC ACID
Formula:	C9 H16 O4
SMILES:	O=C(O)CCCCCCCC(=O)O
InChi:	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
Definition date:	2004-07-07
Last modified:	2024-09-27
Identifier:	nonanedioic acid

AZE

AZE
Name:	ALL-TRANS AXEROPHTHENE
Formula:	C20 H30
SMILES:	C(/C1=C(CCCC1(C)C)C)=CC(=CC=CC(=CC)C)C
InChi:	InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohexene

AZH

AZH
Name:	AZIDOHOMOALANINE
Formula:	C4 H9 N4 O2
SMILES:	O=C(O)C(N)CCN=[N+]=[N@H]
InChi:	InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1
Definition date:	2010-08-09
Last modified:	2024-09-27
Identifier:	1-[(3S)-3-amino-3-carboxypropyl]triaza-1,2-dien-2-ium

AZI

AZI
Name:	AZIDE ION
Formula:	N3
SMILES:	[N-]=[N+]=[N-]
InChi:	InChI=1S/N3/c1-3-2/q-1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	azide

AZK

AZK
Name:	(S)-2-AMINO-6-AZIDOHEXANOIC ACID
Formula:	C6 H14 N4 O
SMILES:	[N-]=[N+]=N/CCCCC(N)CO
InChi:	InChI=1S/C6H14N4O/c7-6(5-11)3-1-2-4-9-10-8/h6,11H,1-5,7H2/t6-/m0/s1
Synonyms:	EPSILON-AZIDO-LYSINE
Definition date:	2005-08-04
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-6-azidohexan-1-ol

AZM

AZM
Name:	5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
Formula:	C4 H6 N4 O3 S2
SMILES:	O=S(=O)(c1nnc(s1)NC(=O)C)N
InChi:	InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

AZP

AZP
Name:	(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE
Formula:	C32 H43 N5 O9
SMILES:	O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2)CCC(=O)N
InChi:	InChI=1S/C32H43N5O9/c1-4-45-31(43)26(38)19-28(40)37(16-15-27(33)39)36-30(42)25(18-22-11-7-5-8-12-22)34-29(41)24(17-21(2)3)35-32(44)46-20-23-13-9-6-10-14-23/h5-14,21,24-26,38H,4,15-20H2,1-3H3,(H2,33,39)(H,34,41)(H,35,44)(H,36,42)/t24-,25-,26-/m0/s1
Definition date:	2005-07-25
Last modified:	2024-09-27
Identifier:	ethyl (5S,8S,14S)-11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate (non-preferred name)

AZR

AZR
Name:	2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid
Formula:	C13 H19 N5 O8 S2
SMILES:	O=S(=O)(O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c1nc(sc1)N
InChi:	InChI=1S/C13H19N5O8S2/c1-6(18-28(23,24)25)7(4-19)15-10(20)9(8-5-27-12(14)16-8)17-26-13(2,3)11(21)22/h4-7,18H,1-3H3,(H2,14,16)(H,15,20)(H,21,22)(H,23,24,25)/b17-9-/t6-,7+/m0/s1
Synonyms:	AZTREONAM, open form
Definition date:	2000-09-12
Last modified:	2024-09-27
Identifier:	2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid

AZS

AZS
Name:	O-DIAZOACETYL-L-SERINE
Formula:	C5 H7 N3 O4
SMILES:	O=C(OCC(N)C(=O)O)C=[N+]=[N-]
InChi:	InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1
Synonyms:	ASASERINE
Definition date:	2007-09-20
Last modified:	2024-09-27
Identifier:	O-(diazoacetyl)-L-serine

B05

B05
Name:	N-[2-(benzyloxy)phenyl]-3-nitrobenzamide
Formula:	C20 H16 N2 O4
SMILES:	O=[N+]([O-])c3cc(C(=O)Nc1c(cccc1)OCc2ccccc2)ccc3
InChi:	InChI=1S/C20H16N2O4/c23-20(16-9-6-10-17(13-16)22(24)25)21-18-11-4-5-12-19(18)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23)
Definition date:	2015-09-29
Last modified:	2024-09-27
Release date:	2016-09-21
Identifier:	N-[2-(benzyloxy)phenyl]-3-nitrobenzamide

B07

B07
Name:	2,6 DIMETHOXYBENZAMIDOBORONIC ACID
Formula:	C10 H14 B N O5
SMILES:	O=C(c1c(OC)cccc1OC)NCB(O)O
InChi:	InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)
Definition date:	2011-07-27
Last modified:	2024-09-27
Identifier:	{[(2,6-dimethoxybenzoyl)amino]methyl}boronic acid

B0I

B0I
Name:	3,3'-dimethyl-1,1'-biphenyl
Formula:	C14 H14
SMILES:	Cc2cc(c1cc(C)ccc1)ccc2
InChi:	InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
Definition date:	2017-08-15
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	3,3'-dimethyl-1,1'-biphenyl

B0S

B0S
Name:	tridecylboronic acid
Formula:	C13 H29 B O2
SMILES:	OB(O)CCCCCCCCCCCCC
InChi:	InChI=1S/C13H29BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h15-16H,2-13H2,1H3
Definition date:	2013-08-09
Last modified:	2024-09-27
Release date:	2013-08-28
Identifier:	tridecylboronic acid

B1S

B1S
Name:	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C21 H31 N3 O8 S
SMILES:	C(c1ccccc1)OC(=O)NC(C(=O)NC(C(S(=O)(=O)O)O)CC2CCNC2=O)CC(C)C
InChi:	InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20+/m0/s1
Definition date:	2017-07-31
Last modified:	2024-09-27
Release date:	2018-04-04
Identifier:	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

B27

B27
Name:	(2R,3S) 3-amino-4-mercapto-2-butanol
Formula:	C4 H11 N O S
SMILES:	OC(C)C(N)CS
InChi:	InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
Synonyms:	(2R,3S)-3-amino-4-sulfanylbutan-2-ol
Definition date:	2009-05-20
Last modified:	2024-09-27
Identifier:	(2R,3S)-3-amino-4-sulfanylbutan-2-ol

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

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

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