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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

2FG

2FG
Name:	2-deoxy-2-fluoro-beta-D-galactopyranose
Formula:	C6 H11 F O5
SMILES:	FC1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE
Definition date:	2001-10-02
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-beta-D-galactopyranose

2FP

2FP
Name:	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)
Formula:	C6 H14 O12 P2
SMILES:	O=P(OCC(O)C(O)C(O)C(=O)COP(=O)(O)O)(O)O
InChi:	InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1,6-di-O-phosphono-D-sorbose

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

2FU

2FU
Name:	BUT-2-ENEDIAL
Formula:	C4 H4 O2
SMILES:	O=CC=CC=O
InChi:	InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2E)-but-2-enedial

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

2GH

2GH
Name:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide
Formula:	C14 H29 N2 O7 P
SMILES:	O=P(OCC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C)(O)O
InChi:	InChI=1S/C14H29N2O7P/c1-4-5-6-8-15-11(17)7-9-16-13(19)12(18)14(2,3)10-23-24(20,21)22/h12,18H,4-10H2,1-3H3,(H,15,17)(H,16,19)(H2,20,21,22)/t12-/m0/s1
Definition date:	2013-10-16
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide

2GI

2GI
Name:	1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C23 H27 N9 O
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CCc4ccccc4)nn3)c5c(N)ncnc25
InChi:	InChI=1S/C23H27N9O/c1-2-19(33)30-11-6-9-17(13-30)32-23-20(22(24)25-15-26-23)21(28-32)18-14-31(29-27-18)12-10-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,2,6,9-13H2,1H3,(H2,24,25,26)/t17-/m1/s1
Definition date:	2021-06-15
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

2GK

2GK
Name:	(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
Formula:	C11 H9 B O4 S
SMILES:	O=C(O)C=Cc1c2ccccc2sc1B(O)O
InChi:	InChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+
Definition date:	2014-02-21
Last modified:	2024-09-27
Release date:	2014-06-18
Identifier:	(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid

2GX

2GX
Name:	beta-phenyl-L-phenylalanine
Formula:	C15 H15 N O2
SMILES:	O=C(O)C(N)C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1
Definition date:	2013-02-15
Last modified:	2024-09-27
Release date:	2016-10-26
Identifier:	beta-phenyl-L-phenylalanine

DDZ

DDZ
Name:	3,3-DIHYDROXY L-ALANINE
Formula:	C3 H7 N O4
SMILES:	O=C(O)C(N)C(O)O
InChi:	InChI=1S/C3H7NO4/c4-1(2(5)6)3(7)8/h1-2,5-6H,4H2,(H,7,8)/t1-/m0/s1
Synonyms:	3-HYDROXY-L-SERINE
Definition date:	2000-06-06
Last modified:	2024-09-27
Identifier:	3-hydroxy-L-serine

DEC

DEC
Name:	SEBACIC ACID
Formula:	C10 H18 O4
SMILES:	O=C(O)CCCCCCCCC(=O)O
InChi:	InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	decanedioic acid

2HF

2HF
Name:	2-fluoro-L-histidine
Formula:	C6 H9 F N3 O2
SMILES:	Fc1[nH+]c(cn1)CC(N)C(=O)O
InChi:	InChI=1S/C6H8FN3O2/c7-6-9-2-3(10-6)1-4(8)5(11)12/h2,4H,1,8H2,(H,9,10)(H,11,12)/p+1/t4-/m0/s1
Definition date:	2010-04-22
Last modified:	2024-09-27
Identifier:	3-(2-fluoro-1H-imidazol-3-ium-4-yl)-L-alanine

DEP

DEP
Name:	DIETHYL PHOSPHONATE
Formula:	C4 H11 O3 P
SMILES:	O=P(OCC)OCC
InChi:	InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	diethyl phosphonate

2HR

2HR
Name:	HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER
Formula:	C16 H27 O3 P
SMILES:	O=P(O)(OCC(Cc1ccccc1)C)CCCCCC
InChi:	InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m1/s1
Definition date:	2005-02-23
Last modified:	2024-09-27
Identifier:	(2R)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate

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+)

2HS

2HS
Name:	HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER
Formula:	C16 H27 O3 P
SMILES:	O=P(O)(OCC(Cc1ccccc1)C)CCCCCC
InChi:	InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1
Definition date:	2005-02-23
Last modified:	2024-09-27
Identifier:	(2S)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate

2I0

2I0
Name:	1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
Formula:	C27 H29 N5 O4
SMILES:	CCC(=O)N1CC[CH](C1)n2cc(c(n2)c3cccc(OC)c3)c4ncnc5cc(OC)c(OC)cc45
InChi:	InChI=1S/C27H29N5O4/c1-5-25(33)31-10-9-18(14-31)32-15-21(26(30-32)17-7-6-8-19(11-17)34-2)27-20-12-23(35-3)24(36-4)13-22(20)28-16-29-27/h6-8,11-13,15-16,18H,5,9-10,14H2,1-4H3/t18-/m0/s1
Definition date:	2023-07-11
Last modified:	2024-09-27
Release date:	2024-06-05
Identifier:	1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one

2I5

2I5
Name:	1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C21 H22 Br N9 O2
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4cc(Br)ccc4O)c5c(N)ncnc25
InChi:	InChI=1S/C21H22BrN9O2/c1-2-17(33)29-7-3-4-13(9-29)31-21-18(20(23)24-11-25-21)19(27-31)14-10-30(28-26-14)15-8-12(22)5-6-16(15)32/h5-6,8,10-11,13,32H,2-4,7,9H2,1H3,(H2,23,24,25)/t13-/m1/s1
Definition date:	2021-06-15
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

2I6

2I6
Name:	1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one
Formula:	C25 H25 N5 O4
SMILES:	CCC(=O)N1CC(C1)Oc2cc3c(cc2OC)ncnc3c4c[nH]nc4c5cccc(OC)c5
InChi:	InChI=1S/C25H25N5O4/c1-4-23(31)30-12-17(13-30)34-22-9-18-20(10-21(22)33-3)26-14-27-25(18)19-11-28-29-24(19)15-6-5-7-16(8-15)32-2/h5-11,14,17H,4,12-13H2,1-3H3,(H,28,29)
Definition date:	2023-07-11
Last modified:	2024-09-27
Release date:	2024-06-05
Identifier:	1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one

2I8

2I8
Name:	3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide
Formula:	C27 H25 N7 O2
SMILES:	CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)c5ccccc5C
InChi:	InChI=1S/C27H25N7O2/c1-3-25(35)29-20-13-18(26-22-9-5-6-10-23(22)31-32-26)12-19(14-20)27(36)28-15-21-16-34(33-30-21)24-11-7-4-8-17(24)2/h4-14,16H,3,15H2,1-2H3,(H,28,36)(H,29,35)(H,31,32)
Definition date:	2021-06-15
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide

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