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BSG

BSG
Name:	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
Formula:	C9 H12 B N O6 S
SMILES:	O=S(=O)(NCB(O)O)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-7(2-4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)
Definition date:	2010-08-03
Last modified:	2024-09-27
Identifier:	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid

BSH

BSH
Name:	3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
Formula:	C16 H18 B N O6 S
SMILES:	O=S(=O)(NC(B(O)O)Cc1cccc(C(=O)O)c1)Cc2ccccc2
InChi:	InChI=1S/C16H18BNO6S/c19-16(20)14-8-4-7-13(9-14)10-15(17(21)22)18-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,18,21-22H,10-11H2,(H,19,20)/t15-/m0/s1
Definition date:	2010-08-03
Last modified:	2024-09-27
Identifier:	3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid

BT6

BT6
Name:	benzenethiol
Formula:	C6 H6 S
SMILES:	Sc1ccccc1
InChi:	InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
Definition date:	2009-06-11
Last modified:	2024-09-27
Identifier:	benzenethiol

BT7

BT7
Name:	(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol
Formula:	C10 H16 F2 N2 O
SMILES:	n1n(C(CC)CC)cc(C(C(F)F)O)c1
InChi:	InChI=1S/C10H16F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8-10,15H,3-4H2,1-2H3/t9-/m0/s1
Definition date:	2017-08-24
Last modified:	2024-09-27
Release date:	2018-01-10
Identifier:	(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol

BTH

BTH
Name:	4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID
Formula:	C30 H31 N5 O5 S
SMILES:	O=C(O)CC(C(=O)C)NC(=O)C(c1sccc1)CCCCNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4
InChi:	InChI=1S/C30H31N5O5S/c1-19(36)25(17-28(37)38)35-30(40)22(26-10-6-16-41-26)7-4-5-15-31-29(39)20-11-13-21(14-12-20)33-27-18-32-23-8-2-3-9-24(23)34-27/h2-3,6,8-14,16,18,22,25H,4-5,7,15,17H2,1H3,(H,31,39)(H,33,34)(H,35,40)(H,37,38)/t22-,25+/m1/s1
Definition date:	2004-01-09
Last modified:	2024-09-27
Identifier:	(3S)-4-oxo-3-{[(2S)-6-({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)-2-thiophen-2-ylhexanoyl]amino}pentanoic acid

BTI

BTI
Name:	5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL
Formula:	C10 H16 N2 O2 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC=O
InChi:	InChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1
Definition date:	2005-03-25
Last modified:	2024-09-27
Identifier:	5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanal

BTK

BTK
Name:	N~6~-butanoyl-L-lysine
Formula:	C10 H20 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CCC
InChi:	InChI=1S/C10H20N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2010-05-18
Last modified:	2024-09-27
Identifier:	N~6~-butanoyl-L-lysine

BTL

BTL
Name:	BETAINE ALDEHYDE
Formula:	C5 H12 N O
SMILES:	O=CC[N+](C)(C)C
InChi:	InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
Synonyms:	[FORMYLMETHYL]TRIMETHYL-AMMONIUM
Definition date:	2004-08-30
Last modified:	2024-09-27
Identifier:	N,N,N-trimethyl-2-oxoethanaminium

BTN
Name:	BIOTIN
Formula:	C10 H16 N2 O3 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)O
InChi:	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

BTR

BTR
Name:	6-BROMO-TRYPTOPHAN
Formula:	C11 H11 Br N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccc(Br)cc1nc2
InChi:	InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	6-bromo-L-tryptophan

BTW

BTW
Name:	(2S,3R)-2-benzyl-3-sulfanylbutanoic acid
Formula:	C11 H14 O2 S
SMILES:	O=C(O)C(C(S)C)Cc1ccccc1
InChi:	InChI=1S/C11H14O2S/c1-8(14)10(11(12)13)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1
Synonyms:	(2S,3R)-2-benzyl-3-mercaptobutanoic acid
Definition date:	2009-07-09
Last modified:	2024-09-27
Identifier:	(2S,3R)-2-benzyl-3-sulfanylbutanoic acid

BU2

BU2
Name:	1,3-BUTANEDIOL
Formula:	C4 H10 O2
SMILES:	OCCC(O)C
InChi:	InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
Definition date:	2002-05-16
Last modified:	2024-09-27
Identifier:	(3S)-butane-1,3-diol

BUB

BUB
Name:	1-BUTANE BORONIC ACID
Formula:	C4 H11 B O2
SMILES:	OB(O)CCCC
InChi:	InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	butylboronic acid

BUC

BUC
Name:	S,S-BUTYLTHIOCYSTEINE
Formula:	C7 H15 N O2 S2
SMILES:	O=C(O)C(N)CSSCCCC
InChi:	InChI=1S/C7H15NO2S2/c1-2-3-4-11-12-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(butyldisulfanyl)-L-alanine

BUK

BUK
Name:	N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE
Formula:	C27 H42 Br N9 O5 S
SMILES:	Brc1ccc(cc1)C(NC(=O)NC(C(=O)NC(C(=O)NC(C(O)C2SC=CN2)CCCNC(=[N@H])N)C(C)C)CC(=O)N)C
InChi:	InChI=1S/C27H42BrN9O5S/c1-14(2)21(24(41)35-18(5-4-10-33-26(30)31)22(39)25-32-11-12-43-25)37-23(40)19(13-20(29)38)36-27(42)34-15(3)16-6-8-17(28)9-7-16/h6-9,11-12,14-15,18-19,21-22,25,32,39H,4-5,10,13H2,1-3H3,(H2,29,38)(H,35,41)(H,37,40)(H4,30,31,33)(H2,34,36,42)/t15-,18+,19+,21+,22+,25+/m1/s1
Synonyms:	N-((R)-1-(4-BROMOPHENYL)ETHYL)UREA-ASN-VAL-ARG-ALPHA-KETOTHIAZOLE
Definition date:	2005-06-09
Last modified:	2024-09-27
Identifier:	N~2~-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-L-asparaginyl-N-{(1S)-4-carbamimidamido-1-[(S)-(2S)-2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}-L-valinamide

BVH

BVH
Name:	(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
Formula:	C8 H14 O2
SMILES:	C1(CCC(C=C)CC1O)O
InChi:	InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1
Definition date:	2016-11-11
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol

BVK

BVK
Name:	2-[4-(aminomethyl)phenyl]ethanoic acid
Formula:	C9 H11 N O2
SMILES:	NCc1ccc(CC(O)=O)cc1
InChi:	InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
Definition date:	2017-10-16
Last modified:	2024-09-27
Release date:	2018-02-28
Identifier:	2-[4-(aminomethyl)phenyl]ethanoic acid

3IS

3IS
Name:	5-chloranyl-1,3-dihydroindol-2-one
Formula:	C8 H6 Cl N O
SMILES:	Clc1ccc2NC(=O)Cc2c1
InChi:	InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:	2020-05-05
Last modified:	2024-09-27
Release date:	2021-05-12
Identifier:	5-chloranyl-1,3-dihydroindol-2-one

3KI

3KI
Name:	(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
Formula:	C16 H20 O4
SMILES:	O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C
InChi:	InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15-/m1/s1
Definition date:	2021-07-20
Last modified:	2024-09-27
Release date:	2022-07-27
Identifier:	(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid

3LB

3LB
Name:	(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C27 H34 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C=1N=CC(O)C(=O)C=1)S(=O)(=O)NC(=O)NC(CC=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C27H34N10O13S3/c1-5-7-14(16(12-38)30-22(41)20(17-13-51-24(28)31-17)34-50-27(2,3)23(42)43)32-25(44)35-53(48,49)37-26(45)36(8-6-9-52(4,46)47)21(33-37)15-10-18(39)19(40)11-29-15/h5,10-14,16,19,40H,1,6-9H2,2-4H3,(H2,28,31)(H,30,41)(H,42,43)(H2,32,35,44)/b34-20-/t14-,16-,19-/m1/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LC

3LC
Name:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C26 H32 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C26H32N10O13S3/c1-5-13(15(11-37)29-21(40)19(16-12-50-23(27)30-16)33-49-26(2,3)22(41)42)31-24(43)34-52(47,48)36-25(44)35(7-6-8-51(4,45)46)20(32-36)14-9-17(38)18(39)10-28-14/h5,10-13,15,39H,1,6-9H2,2-4H3,(H2,27,30)(H,29,40)(H,41,42)(H2,31,34,43)/b33-19-/t13-,15+/m0/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LE

3LE
Name:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C25 H32 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C25H32N10O13S3/c1-12(14(10-36)29-20(39)18(15-11-49-22(26)30-15)32-48-25(2,3)21(40)41)28-23(42)33-51(46,47)35-24(43)34(6-5-7-50(4,44)45)19(31-35)13-8-16(37)17(38)9-27-13/h9-12,14,38H,5-8H2,1-4H3,(H2,26,30)(H,29,39)(H,40,41)(H2,28,33,42)/b32-18-/t12-,14+/m0/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LH

3LH
Name:	N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
Formula:	C25 H21 N5 O2
SMILES:	O=C(Nc1c(ccc(c1)N3c2c5c(ncc2C=CC3=O)ccc(c4cnnc4)c5)C)CC
InChi:	InChI=1S/C25H21N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h4-14H,3H2,1-2H3,(H,27,28)(H,29,31)
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2016-05-04
Identifier:	N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide

3LX

3LX
Name:	tridecanethial
Formula:	C13 H26 S
SMILES:	S=CCCCCCCCCCCCC
InChi:	InChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
Definition date:	2014-09-20
Last modified:	2024-09-27
Release date:	2015-03-11
Identifier:	tridecanethial

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:	2024-09-27
Identifier:	3-chloro-D-tyrosine

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