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OUU

OUU
Name:	(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid
Formula:	C11 H19 N O7
SMILES:	CC(=O)NCCO[CH]1[CH](O)[CH](O)C[CH](O)[CH]1C(O)=O
InChi:	InChI=1S/C11H19NO7/c1-5(13)12-2-3-19-10-8(11(17)18)6(14)4-7(15)9(10)16/h6-10,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7-,8-,9+,10+/m0/s1
Definition date:	2022-09-21
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid

MU4

MU4
Name:	N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C27 H54 N3 O8 P
SMILES:	OP(OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCCCCCC)=O)C)(=O)O
InChi:	InChI=1S/C27H54N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h25,33H,4-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/t25-/m0/s1
Definition date:	2019-04-15
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

UVQ

UVQ
Name:	4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
Formula:	C16 H14 F N O3 S
SMILES:	Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C16H14FNO3S/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-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

L6B

L6B
Name:	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
Formula:	C15 H18 N2 O4
SMILES:	COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:	InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate

N8L

N8L
Name:	1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
Formula:	C16 H20 N4 O
SMILES:	CCC(=O)N1CCC[CH]1c2c(C)[nH]nc2c3ccncc3
InChi:	InChI=1S/C16H20N4O/c1-3-14(21)20-10-4-5-13(20)15-11(2)18-19-16(15)12-6-8-17-9-7-12/h6-9,13H,3-5,10H2,1-2H3,(H,18,19)/t13-/m0/s1
Definition date:	2022-08-12
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

L6C

L6C
Name:	phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C16 H15 N O3
SMILES:	O=C(Oc1ccccc1)NC(c2ccccc2)CC=O
InChi:	InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	phenyl [(1R)-3-oxo-1-phenylpropyl]carbamate

QIP

QIP
Name:	2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide
Formula:	C9 H14 N4 O4 S
SMILES:	CSCCC(=N)[C]1(O)NC(=O)CN1C(=O)C(N)=O
InChi:	InChI=1S/C9H14N4O4S/c1-18-3-2-5(10)9(17)12-6(14)4-13(9)8(16)7(11)15/h10,17H,2-4H2,1H3,(H2,11,15)(H,12,14)/b10-5-/t9-/m0/s1
Synonyms:	CHROMOPHORE (MET-TYR-GLY)
Definition date:	2022-11-01
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide

UVT

UVT
Name:	4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde
Formula:	C12 H15 N O3 S
SMILES:	C[CH]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H15NO3S/c1-10-3-2-8-13(10)17(15,16)12-6-4-11(9-14)5-7-12/h4-7,9-10H,2-3,8H2,1H3/t10-/m0/s1
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde

QWH

QWH
Name:	~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide
Formula:	C10 H13 Br N2 O
SMILES:	CCC(=O)Nc1cc(C)nc(C)c1Br
InChi:	InChI=1S/C10H13BrN2O/c1-4-9(14)13-8-5-6(2)12-7(3)10(8)11/h5H,4H2,1-3H3,(H,12,13,14)
Synonyms:	RA399
Definition date:	2020-08-14
Last modified:	2024-09-27
Release date:	2021-10-13
Identifier:	~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide

TCO

TCO
Name:	TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
Formula:	C13 H23 N O3
SMILES:	O=C(OC(C)(C)C)NC(C=O)C1CCCCC1
InChi:	InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1
Definition date:	2003-08-29
Last modified:	2024-09-27
Identifier:	tert-butyl [(1S)-1-cyclohexyl-2-oxoethyl]carbamate

ROJ

ROJ
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C15 H22 Cl N5 O12 P2
SMILES:	C1(COC(C1O)COP(OP(O)(=O)OCC2C(C(C(O2)n3c4c(nc3)c(N)ncn4)O)O)(=O)O)Cl
InChi:	InChI=1S/C15H22ClN5O12P2/c16-6-1-29-7(10(6)22)2-30-34(25,26)33-35(27,28)31-3-8-11(23)12(24)15(32-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-24H,1-3H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,8-,10+,11-,12-,15-/m1/s1
Definition date:	2020-02-18
Last modified:	2024-09-27
Release date:	2020-06-03
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-chloro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

TQV

TQV
Name:	O-CRESYL-SALIGENIN PHOSPHATE
Formula:	C14 H15 O5 P
SMILES:	O=P(O)(Oc1ccccc1C)OCc2ccccc2O
InChi:	InChI=1S/C14H15O5P/c1-11-6-2-5-9-14(11)19-20(16,17)18-10-12-7-3-4-8-13(12)15/h2-9,15H,10H2,1H3,(H,16,17)
Definition date:	2012-10-03
Last modified:	2024-09-27
Release date:	2013-02-01
Identifier:	2-hydroxybenzyl 2-methylphenyl hydrogen (S)-phosphate

TCQ

TCQ
Name:	(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
Formula:	C18 H19 N2 O4
SMILES:	O=C(O)C(N)CC=3C(=O)C=C(O)C(=[NH+]C2CC2c1ccccc1)C=3
InChi:	InChI=1S/C18H18N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,7,9,12-14,22H,6,8,19H2,(H,23,24)/p+1/b20-15+/t12-,13+,14+/m1/s1
Definition date:	2004-07-27
Last modified:	2024-09-27
Identifier:	(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium

N8O

N8O
Name:	~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide
Formula:	C12 H15 N5 O
SMILES:	CN(C)c1cc(NC(=O)C=C)nc2cc(C)nn12
InChi:	InChI=1S/C12H15N5O/c1-5-11(18)14-9-7-12(16(3)4)17-10(13-9)6-8(2)15-17/h5-7H,1H2,2-4H3,(H,13,14,18)
Definition date:	2023-01-11
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide

TQW

TQW
Name:	4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
Formula:	C17 H17 N O4 S
SMILES:	COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C17H17NO4S/c1-22-15-6-9-17-14(11-15)3-2-10-18(17)23(20,21)16-7-4-13(12-19)5-8-16/h4-9,11-12H,2-3,10H2,1H3
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

OV1

OV1
Name:	N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide
Formula:	C25 H49 N3 O6 S
SMILES:	O=C(NC(C(=O)NC(CC(C)C)C(O)C(C)CO)CCS(=O)C)C(NC(=O)CCCCC)C(C)C
InChi:	InChI=1S/C25H49N3O6S/c1-8-9-10-11-21(30)28-22(17(4)5)25(33)26-19(12-13-35(7)34)24(32)27-20(14-16(2)3)23(31)18(6)15-29/h16-20,22-23,29,31H,8-15H2,1-7H3,(H,26,33)(H,27,32)(H,28,30)/t18-,19+,20+,22+,23+,35-/m1/s1
Synonyms:	Carmaphycin A, bound form
Definition date:	2012-12-10
Last modified:	2024-09-27
Release date:	2014-01-29
Identifier:	N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide

L6E

L6E
Name:	[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
Formula:	C17 H21 N3 O5
SMILES:	CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:	InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate

OV2

OV2
Name:	N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
Formula:	C27 H52 N4 O6
SMILES:	O=C(NC(C(O)C(CO)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C
InChi:	InChI=1S/C27H52N4O6/c1-9-10-11-12-22(33)30-24(18(4)5)27(37)28-20(13-14-23(34)31(7)8)26(36)29-21(15-17(2)3)25(35)19(6)16-32/h17-21,24-25,32,35H,9-16H2,1-8H3,(H,28,37)(H,29,36)(H,30,33)/t19-,20+,21+,24+,25+/m1/s1
Synonyms:	Carmaphycin A analogue, bound from
Definition date:	2012-12-10
Last modified:	2024-09-27
Release date:	2014-01-29
Identifier:	N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide

MU9

MU9
Name:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C21 H27 Cl2 F2 N3 O2
SMILES:	FC1(F)CCC(CC1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl
InChi:	InChI=1S/C21H27Cl2F2N3O2/c22-13-18(29)26-14-15-5-11-28(12-6-15)19(30)20(7-9-21(24,25)10-8-20)27-17-3-1-16(23)2-4-17/h1-4,15,27H,5-14H2,(H,26,29)
Definition date:	2022-08-04
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide

1LB

1LB
Name:	(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide
Formula:	C11 H10 N4 O
SMILES:	N#CC(C(=O)N)Cc1cc2c(cc1)nnc2
InChi:	InChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1
Definition date:	2013-03-18
Last modified:	2024-09-27
Release date:	2013-04-10
Identifier:	(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide

OV3

OV3
Name:	(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid
Formula:	C11 H16 F3 N O7
SMILES:	O[CH]1C[CH](O)[CH]([CH](OCCNC(=O)C(F)(F)F)[CH]1O)C(O)=O
InChi:	InChI=1S/C11H16F3NO7/c12-11(13,14)10(21)15-1-2-22-8-6(9(19)20)4(16)3-5(17)7(8)18/h4-8,16-18H,1-3H2,(H,15,21)(H,19,20)/t4-,5-,6-,7+,8+/m0/s1
Definition date:	2022-09-21
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	(1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid

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

L6H

L6H
Name:	[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
Formula:	C28 H38 N4 O7
SMILES:	O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3
InChi:	InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate

TQZ

TQZ
Name:	2-AMINO-3-PENTASULFANYLPROPAN-1-OL
Formula:	C3 H7 N O2 S5
SMILES:	O=C(O)C(N)CSSSSS
InChi:	InChI=1S/C3H7NO2S5/c4-2(3(5)6)1-8-10-11-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	2013-04-23
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	3-pentasulfanyl-L-alanine

MUB

MUB
Name:	N-acetyl-alpha-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:	2004-03-16
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose

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