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OHS

OHS
Name:	O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE
Formula:	C5 H7 N O6 S
SMILES:	O=C(O)SOC(=O)CC(N)C(=O)O
InChi:	InChI=1S/C5H7NO6S/c6-2(4(8)9)1-3(7)12-13-5(10)11/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m1/s1
Definition date:	2005-02-02
Last modified:	2024-09-27
Identifier:	O-(carboxysulfanyl)-4-oxo-D-homoserine

L8O

L8O
Name:	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:	C18 H19 N O
SMILES:	Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:	InChI=1S/C18H19NO/c1-13-6-5-8-15(10-13)18-12-19(14(2)20)11-16-7-3-4-9-17(16)18/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one

PBP

PBP
Name:	p-Bromophenacyl bromide
Formula:	C8 H6 Br2 O
SMILES:	C(C(c1ccc(cc1)Br)=O)Br
InChi:	InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-bromo-1-(4-bromophenyl)ethan-1-one

1VR

1VR
Name:	(3R)-3-amino-4-methylpentanoic acid
Formula:	C6 H13 N O2
SMILES:	O=C(O)CC(N)C(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
Synonyms:	beta-3-homovaline
Definition date:	2013-06-21
Last modified:	2024-09-27
Release date:	2013-09-04
Identifier:	(3R)-3-amino-4-methylpentanoic acid

MUY

MUY
Name:	(R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid
Formula:	C19 H22 N3 O6 P
SMILES:	Oc1ccc(cc1)C(P(=O)(O)C)N2CC(C2=O)NC(=O)C(N)c3ccc(cc3)O
InChi:	InChI=1S/C19H22N3O6P/c1-29(27,28)19(12-4-8-14(24)9-5-12)22-10-15(18(22)26)21-17(25)16(20)11-2-6-13(23)7-3-11/h2-9,15-16,19,23-24H,10,20H2,1H3,(H,21,25)(H,27,28)/t15-,16+,19-/m0/s1
Definition date:	2019-04-16
Last modified:	2024-09-27
Release date:	2019-09-11
Identifier:	(R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid

TDJ

TDJ
Name:	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
Formula:	C22 H13 N2 O6 Ru S
SMILES:	C/%12SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4C3C12)C%10%11)=O)N=C(C%12=C)C(=O)O
InChi:	InChI=1S/C17H17N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10
Definition date:	2020-03-19
Last modified:	2024-09-27
Release date:	2020-04-01
Identifier:	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium

MUZ

MUZ
Name:	[(~{R})-(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid
Formula:	C35 H44 N5 O6 P S
SMILES:	NC(=N)c1ccc(cc1)[CH](NC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4)[P](O)Oc5ccccc5
InChi:	InChI=1S/C35H44N5O6PS/c36-32(37)27-18-20-28(21-19-27)34(47(43)46-29-15-8-3-9-16-29)38-33(41)31-17-10-22-40(31)35(42)30(23-25-11-4-1-5-12-25)39-48(44,45)24-26-13-6-2-7-14-26/h2-3,6-9,13-16,18-21,25,30-31,34,39,43H,1,4-5,10-12,17,22-24H2,(H3,36,37)(H,38,41)/t30-,31+,34-,47-/m1/s1
Definition date:	2019-10-24
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	[(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid

Q68

Q68
Name:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
Formula:	C18 H33 N5 O4
SMILES:	CCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1Cn2cc(CNC(C)=O)nn2
InChi:	InChI=1S/C18H33N5O4/c1-3-4-5-6-7-19-15-8-16(25)18(27)17(26)14(15)11-23-10-13(21-22-23)9-20-12(2)24/h10,14-19,25-27H,3-9,11H2,1-2H3,(H,20,24)/t14-,15-,16-,17+,18+/m0/s1
Definition date:	2020-05-21
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide

MV0

MV0
Name:	7-acetyl-4-methoxy-1-benzofuran-3(2H)-one
Formula:	C11 H10 O4
SMILES:	CC(=O)c1ccc(OC)c2c1OCC2=O
InChi:	InChI=1S/C11H10O4/c1-6(12)7-3-4-9(14-2)10-8(13)5-15-11(7)10/h3-4H,5H2,1-2H3
Definition date:	2022-03-17
Last modified:	2024-09-27
Release date:	2023-01-25
Identifier:	7-acetyl-4-methoxy-1-benzofuran-3(2H)-one

Q69

Q69
Name:	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
Formula:	C10 H12 Cl N O2
SMILES:	Clc1cc(ccc1)C(NC(C)=O)CO
InChi:	InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1
Definition date:	2023-08-18
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide

OHY

OHY
Name:	6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one
Formula:	C30 H30 Cl F N4 O3
SMILES:	CC(C)c1c(cccc1)N3c2cc(c(cc2C(=NC3=O)N4CCN(CC4)C(CC)=O)Cl)c5c(F)cccc5O
InChi:	InChI=1S/C30H30ClFN4O3/c1-4-27(38)34-12-14-35(15-13-34)29-21-16-22(31)20(28-23(32)9-7-11-26(28)37)17-25(21)36(30(39)33-29)24-10-6-5-8-19(24)18(2)3/h5-11,16-18,37H,4,12-15H2,1-3H3
Definition date:	2019-06-25
Last modified:	2024-09-27
Release date:	2019-12-25
Identifier:	6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one

PBW

PBW
Name:	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
Formula:	C7 H14 O6
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7-
Definition date:	2020-04-20
Last modified:	2024-09-27
Release date:	2021-04-28
Identifier:	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

MV3

MV3
Name:	2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C21 H29 Cl2 N3 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C21H30ClN3O2/c1-16(26)23-15-17-9-13-25(14-10-17)20(27)21(11-3-2-4-12-21)24-19-7-5-18(22)6-8-19/h5-8,17,24H,2-4,9-15H2,1H3,(H,23,26)
Definition date:	2022-08-04
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide

O
Name:	OXYGEN ATOM
Formula:	O
SMILES:	O
InChi:	InChI=1S/H2O/h1H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	water

MV5

MV5
Name:	(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide
Formula:	C6 H13 N3 O2 S2
SMILES:	N[CH](CSSC[CH](N)C(N)=O)C=O
InChi:	InChI=1S/C6H13N3O2S2/c7-4(1-10)2-12-13-3-5(8)6(9)11/h1,4-5H,2-3,7-8H2,(H2,9,11)/t4-,5+/m1/s1
Definition date:	2019-10-24
Last modified:	2024-09-27
Release date:	2020-09-09
Identifier:	(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide

OH
Name:	HYDROXIDE ION
Formula:	H O
SMILES:	[OH-]
InChi:	InChI=1S/H2O/h1H2/p-1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	hydroxide

L8X

L8X
Name:	methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Formula:	C23 H21 Cl N2 O5
SMILES:	O=C(OC)c1ccc(cc1)C1c2[NH]c3ccccc3c2CC(C(=O)OC)N1C(=O)CCl
InChi:	InChI=1S/C23H21ClN2O5/c1-30-22(28)14-9-7-13(8-10-14)21-20-16(15-5-3-4-6-17(15)25-20)11-18(23(29)31-2)26(21)19(27)12-24/h3-10,18,21,25H,11-12H2,1-2H3/t18-,21+/m1/s1
Definition date:	2022-03-01
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

OYA

OYA
Name:	OCTANAL
Formula:	C8 H16 O
SMILES:	O=CCCCCCCC
InChi:	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
Synonyms:	OCTYL ALDEHYDE
Definition date:	2007-07-09
Last modified:	2024-09-27
Identifier:	octanal

SKG

SKG
Name:	4-methylisoleucine
Formula:	C7 H15 N O2
SMILES:	CC(C)[CH](C)[CH](N)C(O)=O
InChi:	InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
Synonyms:	2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid
Definition date:	2020-03-10
Last modified:	2024-09-27
Release date:	2020-05-20
Identifier:	(2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid

PC
Name:	PHOSPHOCHOLINE
Formula:	C5 H15 N O4 P
SMILES:	O=P(O)(O)OCC[N+](C)(C)C
InChi:	InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N,N,N-trimethyl-2-(phosphonooxy)ethanaminium

Q6H

Q6H
Name:	5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide
Formula:	C18 H17 F N2 O3 Se
SMILES:	Fc1ccc([SeH])c(c1)C(=O)Nc2cccc(c2)C(=O)N3CCOCC3
InChi:	InChI=1S/C18H17FN2O3Se/c19-13-4-5-16(25)15(11-13)17(22)20-14-3-1-2-12(10-14)18(23)21-6-8-24-9-7-21/h1-5,10-11,25H,6-9H2,(H,20,22)
Definition date:	2020-05-22
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide

OYD

OYD
Name:	6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione
Formula:	C12 H20 N4 O3
SMILES:	C=1(NCCCCCO)NC(NC(C=1N=[C@H]CC)=O)=O
InChi:	InChI=1S/C12H20N4O3/c1-2-6-13-9-10(14-7-4-3-5-8-17)15-12(19)16-11(9)18/h6,17H,2-5,7-8H2,1H3,(H3,14,15,16,18,19)/b13-6+
Definition date:	2019-07-18
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione

MV9

MV9
Name:	(2~{R})-3-methyl-2-(methylamino)butanoic acid
Formula:	C6 H13 N O2
SMILES:	CN[CH](C(C)C)C(O)=O
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m1/s1
Synonyms:	N-Methyl-D-valine
Definition date:	2015-12-01
Last modified:	2024-09-27
Release date:	2016-03-16
Identifier:	(2~{R})-3-methyl-2-(methylamino)butanoic acid

1W4

1W4
Name:	S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
Formula:	C25 H24 F N O2 S
SMILES:	O=C(Sc1ccc(F)cc1)c3cc(C=Cc2cc(c(O)c(c2)C)C)cc(N(C)C)c3
InChi:	InChI=1S/C25H24FNO2S/c1-16-11-18(12-17(2)24(16)28)5-6-19-13-20(15-22(14-19)27(3)4)25(29)30-23-9-7-21(26)8-10-23/h5-15,28H,1-4H3/b6-5+
Definition date:	2013-06-27
Last modified:	2024-09-27
Release date:	2013-10-02
Identifier:	S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate

M2L

M2L
Name:	(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid
Formula:	C7 H16 N2 O2 S
SMILES:	O=C(O)C(N)CSCCN(C)C
InChi:	InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
Definition date:	2008-04-09
Last modified:	2024-09-27
Identifier:	S-[2-(dimethylamino)ethyl]-L-cysteine

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