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4AW

4AW
Name:	4-AZATRYPTOPHAN
Formula:	C10 H11 N3 O2
SMILES:	O=C(O)C(N)Cc2c1ncccc1nc2
InChi:	InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1
Definition date:	2012-07-16
Last modified:	2024-09-27
Release date:	2013-05-29
Identifier:	3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine

4CB

4CB
Name:	4-CARBOXYPHENYLBORONIC ACID
Formula:	C7 H7 B O4
SMILES:	O=C(O)c1ccc(B(O)O)cc1
InChi:	InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
Definition date:	2001-11-20
Last modified:	2024-09-27
Identifier:	4-(dihydroxyboranyl)benzoic acid

4D6

4D6
Name:	Vaborbactam
Formula:	C12 H16 B N O5 S
SMILES:	c2ccc(CC(NC1CCC(OB1O)CC(=O)O)=O)s2
InChi:	InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1
Synonyms:	{(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid
Definition date:	2015-03-03
Last modified:	2024-09-27
Release date:	2015-04-01
Identifier:	{(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid

4KZ

4KZ
Name:	N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
Formula:	C22 H23 B N4 O4
SMILES:	c3(C(=O)NC(C(=O)NC(Cc1ccccc1)B(O)O)Cc2ccccc2)cnccn3
InChi:	InChI=1S/C22H23BN4O4/c28-21(27-20(23(30)31)14-17-9-5-2-6-10-17)18(13-16-7-3-1-4-8-16)26-22(29)19-15-24-11-12-25-19/h1-12,15,18,20,30-31H,13-14H2,(H,26,29)(H,27,28)/t18-,20-/m0/s1
Definition date:	2015-04-02
Last modified:	2024-09-27
Release date:	2016-03-16
Identifier:	N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide

EIB

EIB
Name:	[(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate
Formula:	C24 H32 O9
SMILES:	C[CH]1[CH]2[CH](CC(=CC[CH](OC(C)=O)C(=C[CH]2OC1=O)C)COC(C)=O)OC(=O)C(C)=CCO
InChi:	InChI=1S/C24H32O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,15,19-22,25H,7,9,11-12H2,1-5H3/b13-8+,14-10+,18-6-/t15-,19-,20+,21+,22-/m0/s1
Synonyms:	Bound form of Eupalinolide B
Definition date:	2020-07-03
Last modified:	2024-09-27
Release date:	2022-08-24
Identifier:	[(3~{S},3~{a}~{R},4~{R},6~{Z},9~{S},10~{E},11~{a}~{R})-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3~{a},4,5,8,9,11~{a}-hexahydro-3~{H}-cyclodeca[b]furan-4-yl] (~{E})-2-methyl-4-oxidanyl-but-2-enoate

AMU

AMU
Name:	N-acetyl-beta-muramic acid
Formula:	C11 H19 N O8
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	N-acetyl-muramic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose

APB

APB
Name:	M-AMINOPHENYLBORONIC ACID
Formula:	C6 H8 B N O2
SMILES:	OB(O)c1cccc(N)c1
InChi:	InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3-aminophenyl)boronic acid

AQR

AQR
Name:	(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Formula:	C29 H38 O4
SMILES:	C1=C2C(C(C)=C(C1=O)O)=CC=C3C4(C(CCC23C)(C5C(CC4)(CCC(C5)(C(=O)O)C)C)C)C
InChi:	InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
Definition date:	2018-11-20
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

EO9

EO9
Name:	[(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula:	C9 H11 B F2 N O4
SMILES:	C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O
InChi:	InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m1/s1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron

ERF

ERF
Name:	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid
Formula:	C7 H9 B N3 O5 P S
SMILES:	OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O
InChi:	InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15)
Definition date:	2019-08-16
Last modified:	2024-09-27
Release date:	2020-06-24
Identifier:	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid

ETP

ETP
Name:	3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
Formula:	C16 H14 B N O6 S3
SMILES:	O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:	InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
Definition date:	2000-12-07
Last modified:	2024-09-27
Identifier:	[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid

EWA

EWA
Name:	[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID
Formula:	C11 H16 B N O5
SMILES:	O=C(c1c(OC)cccc1OC)NC(B(O)O)C
InChi:	InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1
Definition date:	2010-07-21
Last modified:	2024-09-27
Identifier:	[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid

EWB

EWB
Name:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
Formula:	C16 H19 B N O4
SMILES:	O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C
InChi:	InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
Definition date:	2010-07-07
Last modified:	2024-09-27
Identifier:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)

DEU

DEU
Name:	CO(III)-(DEUTEROPORPHYRIN IX)
Formula:	C30 H28 Co N4 O4
SMILES:	O=C(O)CCC1=C(c4[n+]3C1=Cc8c(c(c7cc2C(=CC6=[n+]2[Co+3]3(n5c(c4)C=C(C5=C6)C)n78)C)C)CCC(=O)O)C
InChi:	InChI=1S/C30H30N4O4.Co/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20
Definition date:	2002-02-26
Last modified:	2024-09-27
Identifier:	[3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]cobalt(5+)

DI2

DI2
Name:	AC-(D)PHE-PRO-BOROLYS-OH
Formula:	C21 H33 B N4 O5
SMILES:	O=C(NC(B(O)O)CCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-D-phenylalanyl-N-[(1R)-5-amino-1-(dihydroxyboranyl)pentyl]-L-prolinamide

DI3

DI3
Name:	AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
Formula:	C22 H34 B N5 O5
SMILES:	O=C(NC(B(O)O)CCCCC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:	InChI=1S/C22H34BN5O5/c1-15(29)26-17(14-16-8-3-2-4-9-16)22(31)28-13-7-10-18(28)21(30)27-19(23(32)33)11-5-6-12-20(24)25/h2-4,8-9,17-19,32-33H,5-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t17-,18+,19+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-D-phenylalanyl-N-[(1R,6Z)-6-amino-1-(dihydroxyboranyl)-6-iminohexyl]-L-prolinamide

DI4

DI4
Name:	AC-(D)PHE-PRO-BOROHOMOLYS-OH
Formula:	C22 H35 B N4 O5
SMILES:	O=C(NC(B(O)O)CCCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:	InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamide

DI5

DI5
Name:	AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
Formula:	C20 H31 B N4 O5
SMILES:	O=C(NC(B(O)O)CCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:	InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-D-phenylalanyl-N-[(1R)-4-amino-1-(dihydroxyboranyl)butyl]-L-prolinamide

DP7

DP7
Name:	AC-(D)PHE-PRO-BOROARG-OH
Formula:	C21 H33 B N6 O5
SMILES:	O=C(NC(B(O)O)CCCNC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-D-phenylalanyl-N-[(1R)-4-carbamimidamido-1-(dihydroxyboranyl)butyl]-L-prolinamide

1LC

1LC
Name:	(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
Formula:	C18 H14 N4 O2
SMILES:	N#CC(C(=O)N)Cc1cccc(c1)C(=O)c3c2cccnc2nc3
InChi:	InChI=1S/C18H14N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-7,10,13H,8H2,(H2,20,24)(H,21,22)/t13-/m1/s1
Definition date:	2013-03-18
Last modified:	2024-09-27
Release date:	2013-04-10
Identifier:	(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide

FEB

FEB
Name:	N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide
Formula:	C27 H51 N5 O7
SMILES:	O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCC)CC(=O)N)CCC(=O)N
InChi:	InChI=1S/C27H51N5O7/c1-4-5-6-7-8-9-10-11-20(34)15-25(37)31-22(16-24(29)36)27(39)32-21(12-13-23(28)35)26(38)30-19(17-33)14-18(2)3/h18-22,33-34H,4-17H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,38)(H,31,37)(H,32,39)/t19-,20+,21-,22-/m0/s1
Synonyms:	Fellutamide B, bound form
Definition date:	2008-05-29
Last modified:	2024-09-27
Identifier:	N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide

FHH

FHH
Name:	methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate
Formula:	C14 H18 N2 O4
SMILES:	COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O
InChi:	InChI=1S/C14H18N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h8H,2-7H2,1H3,(H,15,18)(H,16,19)
Definition date:	2018-07-06
Last modified:	2024-09-27
Release date:	2019-01-30
Identifier:	methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate

FMF

FMF
Name:	2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride
Formula:	C6 H10 F2 O4
SMILES:	FC1C(O)C(O)C(OC1F)CO
InChi:	InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1
Synonyms:	2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE
Definition date:	2003-09-08
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride

FP5

FP5
Name:	PHENYLACETAMIDOMETHYL BORONIC ACID
Formula:	C9 H12 B N O3
SMILES:	OB(O)CNC(=O)Cc1ccccc1
InChi:	InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)
Definition date:	2011-01-12
Last modified:	2024-09-27
Identifier:	(2-phenylethanoylamino)methylboronic acid

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2024-09-27
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

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