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ME9

ME9
Name:	1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)
Formula:	C12 H12 N2 O4
SMILES:	O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O
InChi:	InChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2
Definition date:	2011-03-04
Last modified:	2024-09-27
Identifier:	1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)

VB7

VB7
Name:	{(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate
Formula:	C24 H26 N4 O6 S2
SMILES:	c4ncc(C(c3cc(C2c1ccccc1CCO2)cs3)=O)c(n4)NC5CC(C(C5)O)COS(=O)(N)=O
InChi:	InChI=1S/C24H26N4O6S2/c25-36(31,32)34-11-15-7-17(9-20(15)29)28-24-19(10-26-13-27-24)22(30)21-8-16(12-35-21)23-18-4-2-1-3-14(18)5-6-33-23/h1-4,8,10,12-13,15,17,20,23,29H,5-7,9,11H2,(H2,25,31,32)(H,26,27,28)/t15-,17-,20+,23+/m1/s1
Definition date:	2020-07-22
Last modified:	2024-09-27
Release date:	2021-03-24
Identifier:	{(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate

KSI

KSI
Name:	1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one
Formula:	C17 H25 Cl N2 O
SMILES:	CC(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O
InChi:	InChI=1S/C17H25ClN2O/c1-13(2)9-17-12-19(14(3)21)7-8-20(17)11-15-5-4-6-16(18)10-15/h4-6,10,13,17H,7-9,11-12H2,1-3H3/t17-/m0/s1
Definition date:	2023-08-14
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one

YJ8

YJ8
Name:	(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
Formula:	C25 H25 Cl I N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(I)cc3)CC4)C5
InChi:	InChI=1S/C25H25ClIN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2011-05-19
Last modified:	2024-09-27
Identifier:	(4R)-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-{[1-(4-iodophenyl)cyclopropyl]carbonyl}-L-prolinamide

MEA

MEA
Name:	N-METHYLPHENYLALANINE
Formula:	C10 H13 N O2
SMILES:	O=C(O)C(NC)Cc1ccccc1
InChi:	InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1
Definition date:	2002-06-19
Last modified:	2024-09-27
Identifier:	N-methyl-L-phenylalanine

YWZ

YWZ
Name:	4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate
Formula:	C23 H27 F O8 S
SMILES:	O=S(=O)(Oc1ccc(cc1)c2ccc(OCCOCCOCCOCCOCC#C)cc2)F
InChi:	InChI=1S/C23H27FO8S/c1-2-11-27-12-13-28-14-15-29-16-17-30-18-19-31-22-7-3-20(4-8-22)21-5-9-23(10-6-21)32-33(24,25)26/h1,3-10H,11-19H2
Definition date:	2016-02-11
Last modified:	2024-09-27
Release date:	2016-06-01
Identifier:	4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate

NLW

NLW
Name:	L-leucinamide
Formula:	C6 H14 N2 O
SMILES:	CC(CC(C(N)=O)N)C
InChi:	InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1
Definition date:	2016-03-22
Last modified:	2024-09-27
Release date:	2016-08-03
Identifier:	L-leucinamide

SIL

SIL
Name:	[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE
Formula:	C12 H23 O5 P
SMILES:	O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C
InChi:	InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m1/s1
Synonyms:	O-[(S)-1,2-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE
Definition date:	2003-10-16
Last modified:	2024-09-27
Identifier:	[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (R)-hex-5-en-1-ylphosphonate

YJ9

YJ9
Name:	(2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
Formula:	C26 H25 Cl F3 N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(cc3)C(F)(F)F)CC4)C5
InChi:	InChI=1S/C26H25ClF3N3O4S/c27-19-3-1-2-4-21(19)38(36,37)18-13-20(22(34)32-24(15-31)9-10-24)33(14-18)23(35)25(11-12-25)16-5-7-17(8-6-16)26(28,29)30/h1-8,15,18,20,31H,9-14H2,(H,32,34)/b31-15+/t18-,20+/m1/s1
Definition date:	2011-05-19
Last modified:	2024-09-27
Identifier:	(4R)-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-1-({1-[4-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamide

UI5

UI5
Name:	(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
Formula:	C6 H13 N O3
SMILES:	N[CH]1C[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1
Definition date:	2023-09-05
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol

XE0

XE0
Name:	4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol
Formula:	C13 H9 Cl2 F3 N2 O
SMILES:	Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
InChi:	InChI=1S/C13H9Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1,3,5-6H,2,4H2,(H,19,20,21)
Definition date:	2022-11-14
Last modified:	2024-09-27
Release date:	2023-10-18
Identifier:	4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol

VBA

VBA
Name:	[(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate
Formula:	C21 H24 N6 O6 S
SMILES:	C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4ccn(Cc3ccccc3)n4)=O)O)O
InChi:	InChI=1S/C21H24N6O6S/c22-34(31,32)33-11-14-8-17(20(30)18(14)28)25-21-15(9-23-12-24-21)19(29)16-6-7-27(26-16)10-13-4-2-1-3-5-13/h1-7,9,12,14,17-18,20,28,30H,8,10-11H2,(H2,22,31,32)(H,23,24,25)/t14-,17-,18-,20+/m1/s1
Definition date:	2020-07-22
Last modified:	2024-09-27
Release date:	2021-03-24
Identifier:	[(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate

SIN

SIN
Name:	SUCCINIC ACID
Formula:	C4 H6 O4
SMILES:	O=C(O)CCC(=O)O
InChi:	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	butanedioic acid

Y62

Y62
Name:	2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	O=C(Nc1ccc(cn1)C#N)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C13H7ClN4O3/c14-11-3-2-9(18(20)21)5-10(11)13(19)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17,19)
Definition date:	2023-01-05
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide

NLY

NLY
Name:	N-(4-aminobutyl)glycine
Formula:	C6 H14 N2 O2
SMILES:	O=C(O)CNCCCCN
InChi:	InChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10)
Definition date:	2012-10-18
Last modified:	2024-09-27
Release date:	2013-10-09
Identifier:	N-(4-aminobutyl)glycine

Y63

Y63
Name:	4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid
Formula:	C37 H37 F N6 O4
SMILES:	O=C(O)CCC(=O)N1C2CCC1CN(C2)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(C#C)c21)OCC12CCCN2CCC1
InChi:	InChI=1S/C37H37FN6O4/c1-2-23-7-3-8-24-9-4-10-27(31(23)24)33-32(38)34-28(19-39-33)35(41-36(40-34)48-22-37-15-5-17-43(37)18-6-16-37)42-20-25-11-12-26(21-42)44(25)29(45)13-14-30(46)47/h1,3-4,7-10,19,25-26H,5-6,11-18,20-22H2,(H,46,47)/t25-,26+
Definition date:	2023-06-12
Last modified:	2024-09-27
Release date:	2024-03-13
Identifier:	4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid

O10

O10
Name:	(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
Formula:	C10 H5 Br Cl N5
SMILES:	Brc1cnc(Cl)nc1n1ccc2ncncc21
InChi:	InChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
Definition date:	2022-04-15
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine

XE2

XE2
Name:	(6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
Formula:	C15 H10 O3
SMILES:	Oc1ccc2cc(ccc2c1C=O)c1ccco1
InChi:	InChI=1S/C15H10O3/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-9,17H
Definition date:	2023-06-06
Last modified:	2024-09-27
Release date:	2023-12-06
Identifier:	(6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde

MEE

MEE
Name:	METHANETHIOL
Formula:	C H4 S
SMILES:	SC
InChi:	InChI=1S/CH4S/c1-2/h2H,1H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	methanethiol

Y64

Y64
Name:	(1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C24 H39 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:	InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1
Definition date:	2021-02-08
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{R},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid

VPV

VPV
Name:	(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
Formula:	C13 H22 N2 O7
SMILES:	C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O
InChi:	InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1
Definition date:	2020-09-02
Last modified:	2024-09-27
Release date:	2021-09-22
Identifier:	(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid

KDP

KDP
Name:	2-KETO-DEOXY-GALACTOSE
Formula:	C6 H11 O9 P
SMILES:	O=P(O)(O)OCC(O)C(O)CC(=O)C(=O)O
InChi:	InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5-/m1/s1
Definition date:	2007-08-02
Last modified:	2024-09-27
Identifier:	3-deoxy-6-O-phosphono-D-threo-hex-2-ulosonic acid

POK

POK
Name:	2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
Formula:	C8 H16 N4 O4
SMILES:	N[CH](CCCNC(=N)NCC(O)=O)C(O)=O
InChi:	InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-4-6(13)14/h5H,1-4,9H2,(H,13,14)(H,15,16)(H3,10,11,12)/t5-/m0/s1
Definition date:	2020-04-27
Last modified:	2024-09-27
Release date:	2020-06-03
Identifier:	(2~{S})-2-azanyl-5-[[~{N}-(2-hydroxy-2-oxoethyl)carbamimidoyl]amino]pentanoic acid

ZL7

ZL7
Name:	(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
Formula:	C23 H31 F4 N3 O5 S
SMILES:	OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1ccc(F)cc1)C(F)(F)F)C(=O)NC1CC1
InChi:	InChI=1S/C23H31F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-20,29,31H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,19+,20-/m0/s1
Definition date:	2021-05-04
Last modified:	2024-09-27
Release date:	2021-05-12
Identifier:	(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)

4C9

4C9
Name:	(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
Formula:	C30 H33 N7 O2
SMILES:	N#CC(C(=O)N5CCCC(n2nc(c1c(ncnc12)N)c4ccc(Oc3ccccc3)cc4)C5)CC(C)(C)C
InChi:	InChI=1S/C30H33N7O2/c1-30(2,3)16-21(17-31)29(38)36-15-7-8-22(18-36)37-28-25(27(32)33-19-34-28)26(35-37)20-11-13-24(14-12-20)39-23-9-5-4-6-10-23/h4-6,9-14,19,21-22H,7-8,15-16,18H2,1-3H3,(H2,32,33,34)/t21-,22-/m1/s1
Definition date:	2015-02-27
Last modified:	2024-09-27
Release date:	2015-05-13
Identifier:	(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile

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