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UVZ

UVZ
Name:	4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
Formula:	C16 H14 Cl N O3 S
SMILES:	Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C16H14ClNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

ROP

ROP
Name:	PROPIONAMIDE
Formula:	C3 H7 N O
SMILES:	O=C(N)CC
InChi:	InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
Definition date:	2001-03-23
Last modified:	2024-09-27
Identifier:	propanamide

1LE

1LE
Name:	(2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide
Formula:	C24 H28 N4 O5
SMILES:	N#CC(C(=O)NC(C)(C)CO)Cc1cc2c(cc1)nnc2c3cc(OC)c(OC)c(OC)c3
InChi:	InChI=1S/C24H28N4O5/c1-24(2,13-29)26-23(30)16(12-25)8-14-6-7-18-17(9-14)21(28-27-18)15-10-19(31-3)22(33-5)20(11-15)32-4/h6-7,9-11,16,29H,8,13H2,1-5H3,(H,26,30)(H,27,28)/t16-/m0/s1
Definition date:	2013-03-18
Last modified:	2024-09-27
Release date:	2013-04-10
Identifier:	(2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide

N8U

N8U
Name:	~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide
Formula:	C9 H11 N3 O2 S
SMILES:	CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h3-6,12H,2H2,1H3,(H,10,11)
Definition date:	2022-08-12
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide

OV7

OV7
Name:	(2R)-amino[(carboxymethyl)sulfanyl]acetic acid
Formula:	C4 H7 N O4 S
SMILES:	NC(C(O)=O)SCC(O)=O
InChi:	InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
Definition date:	2019-07-08
Last modified:	2024-09-27
Release date:	2019-08-07
Identifier:	(2R)-amino[(carboxymethyl)sulfanyl]acetic acid

TCX

TCX
Name:	ethylphosphoramidic acid
Formula:	C2 H8 N O3 P
SMILES:	O=P(O)(O)NCC
InChi:	InChI=1S/C2H8NO3P/c1-2-3-7(4,5)6/h2H2,1H3,(H3,3,4,5,6)
Definition date:	2009-05-12
Last modified:	2024-09-27
Identifier:	ethylphosphoramidic acid

Q3P

Q3P
Name:	N~6~-glycyl-L-lysine
Formula:	C8 H17 N3 O3
SMILES:	C(CN)(NCCCCC(N)C(O)=O)=O
InChi:	InChI=1S/C8H17N3O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1
Definition date:	2019-09-16
Last modified:	2024-09-27
Release date:	2019-10-23
Identifier:	N~6~-glycyl-L-lysine

N8W

N8W
Name:	~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide
Formula:	C9 H14 N2 O5
SMILES:	CC(=O)N[CH]1CN2[CH](COC2=O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H14N2O5/c1-4(12)10-5-2-11-6(3-16-9(11)15)8(14)7(5)13/h5-8,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1
Definition date:	2019-11-15
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide

OV9

OV9
Name:	2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid
Formula:	C7 H5 N5 O3
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(O)=O
InChi:	InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)
Definition date:	2023-02-14
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid

OVA

OVA
Name:	3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE
Formula:	C16 H26 O5
SMILES:	O=C2C(OC)C(O)(C1(OC1C/C=C(/C)C)C)C(O)(C)CC2
InChi:	InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1
Synonyms:	OVALICIN
Definition date:	1999-07-23
Last modified:	2024-09-27
Identifier:	(2S,3R,4R)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexanone

PBA

PBA
Name:	PHENYLETHANE BORONIC ACID
Formula:	C8 H11 B O2
SMILES:	OB(O)CCc1ccccc1
InChi:	InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2-phenylethyl)boronic acid

RAM

RAM
Name:	alpha-L-rhamnopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1
Synonyms:	alpha-L-rhamnose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	6-deoxy-alpha-L-mannopyranose

TR8

TR8
Name:	(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)
Formula:	C32 H52 B N4 O10
SMILES:	O=C(NC([B-](O)(O)O)CCO)C3N2C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC4C1CN(C(=O)OC(C2)C3)C4)C(C)(C)C
InChi:	InChI=1S/C32H52BN4O10/c1-31(2,3)26-28(40)37-17-22(15-24(37)27(39)34-25(12-14-38)33(43,44)45)47-30(42)36-16-21-11-8-10-20(23(21)18-36)9-6-7-13-32(4,5)19-46-29(41)35-26/h8,10-11,21-26,38,43-45H,6-7,9,12-19H2,1-5H3,(H,34,39)(H,35,41)/q-1
Definition date:	2010-08-02
Last modified:	2024-09-27
Identifier:	(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)

PBC

PBC
Name:	PHENYL BORONIC ACID
Formula:	C6 H7 B O2
SMILES:	OB(O)c1ccccc1
InChi:	InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Definition date:	2001-08-29
Last modified:	2024-09-27
Identifier:	phenylboronic acid

TR9

TR9
Name:	(5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione
Formula:	C7 H8 O4
SMILES:	O=C1C(O)=C(C(=O)C(O)C1)C
InChi:	InChI=1S/C7H8O4/c1-3-6(10)4(8)2-5(9)7(3)11/h4,8,11H,2H2,1H3/t4-/m0/s1
Definition date:	2011-02-17
Last modified:	2024-09-27
Identifier:	(5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione

PBE

PBE
Name:	1,1-DIMETHYL-PROLINIUM
Formula:	C7 H14 N O2
SMILES:	O=C(O)C1[N+](C)(C)CCC1
InChi:	InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1
Synonyms:	PROLINE BETAINE
Definition date:	2000-04-20
Last modified:	2024-09-27
Identifier:	(2S)-2-carboxy-1,1-dimethylpyrrolidinium

MUM

MUM
Name:	5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
Formula:	C10 H17 N2 O8 P
SMILES:	C1(C(NC(N(C1)C2OC(C(O)C2O)COP(O)O)=O)=O)C
InChi:	InChI=1S/C10H17N2O8P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(17)18/h4-7,9,13-14,17-18H,2-3H2,1H3,(H,11,15,16)/t4-,5-,6-,7-,9-/m1/s1
Definition date:	2018-06-04
Last modified:	2024-09-27
Release date:	2018-10-24
Identifier:	5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine

PBF

PBF
Name:	PARA-(BENZOYL)-PHENYLALANINE
Formula:	C16 H15 N O3
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
InChi:	InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
Definition date:	2000-02-22
Last modified:	2024-09-27
Identifier:	4-(phenylcarbonyl)-L-phenylalanine

N95

N95
Name:	[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
Formula:	C7 H6 B Cl N4 O2
SMILES:	Clc1ncnc(c1)n2ncc(c2)B(O)O
InChi:	InChI=1S/C7H6BClN4O2/c9-6-1-7(11-4-10-6)13-3-5(2-12-13)8(14)15/h1-4,14-15H
Definition date:	2013-08-06
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid

MUP

MUP
Name:	METHOXYUNDECYLPHOSPHINIC ACID
Formula:	C12 H27 O3 P
SMILES:	O=P(O)(OC)CCCCCCCCCCC
InChi:	InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	methyl hydrogen (S)-undecylphosphonate

LLE

LLE
Name:	(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
Formula:	C23 H39 N2 O13 P S
SMILES:	CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O
InChi:	InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1
Definition date:	2019-08-22
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide

5IU

5IU
Name:	5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:	C9 H12 I N2 O8 P
SMILES:	IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate)

N96

N96
Name:	~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
Formula:	C9 H12 N2 O2 S
SMILES:	CCC(=O)Nc1sc2COCCc2n1
InChi:	InChI=1S/C9H12N2O2S/c1-2-8(12)11-9-10-6-3-4-13-5-7(6)14-9/h2-5H2,1H3,(H,10,11,12)
Definition date:	2022-08-12
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide

LLF

LLF
Name:	(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C10 H13 F2 N2 O5 P
SMILES:	FC(F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
InChi:	InChI=1S/C10H13F2N2O5P/c1-6-10(15)8(3-13-4-9(11)12)7(2-14-6)5-19-20(16,17)18/h2-3,9,15H,4-5H2,1H3,(H2,16,17,18)/b13-3+
Synonyms:	(E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE
Definition date:	2006-04-05
Last modified:	2024-09-27
Identifier:	(4-{(E)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

L70

L70
Name:	(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
Formula:	C19 H28 Cl2 N4 O2 S2
SMILES:	CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N
InChi:	InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1
Definition date:	2022-06-20
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide

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