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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

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

51K

51K
Name:	2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole
Formula:	C14 H9 F6 N5 O
SMILES:	FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nn(cn2)CCc3nnco3
InChi:	InChI=1S/C14H9F6N5O/c15-13(16,17)9-3-8(4-10(5-9)14(18,19)20)12-21-6-25(24-12)2-1-11-23-22-7-26-11/h3-7H,1-2H2
Synonyms:	KPT-251
Definition date:	2012-08-23
Last modified:	2024-09-27
Release date:	2012-08-31
Identifier:	2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole

51T

51T
Name:	2,3,6-trifluoro-L-tyrosine
Formula:	C9 H8 F3 N O3
SMILES:	NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O
InChi:	InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1
Definition date:	2015-07-13
Last modified:	2024-09-27
Release date:	2016-06-22
Identifier:	2,3,6-trifluoro-L-tyrosine

523

523
Name:	2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE)
Formula:	C10 H19 N3 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC([N+]=1C(=O)NC(N)=C(C=1)C)CC2O
InChi:	InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H6,11,12,15,16,17,18,19,20,21,22)/p+1/t6-,7+,8+/m0/s1
Synonyms:	5-METHYL-2'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE
Definition date:	2007-01-22
Last modified:	2024-09-27
Identifier:	2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate)

VDE

VDE
Name:	(2S)-2-azanyl-6-[4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid
Formula:	C11 H20 N6 O3
SMILES:	N[CH](CCCCn1cc(C[CH](N)C(N)=O)nn1)C(O)=O
InChi:	InChI=1S/C11H20N6O3/c12-8(11(19)20)3-1-2-4-17-6-7(15-16-17)5-9(13)10(14)18/h6,8-9H,1-5,12-13H2,(H2,14,18)(H,19,20)/t8-,9-/m0/s1
Definition date:	2021-05-06
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	(2~{S})-2-azanyl-6-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid

VDJ

VDJ
Name:	[4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C21 H35 F2 N3 O8 S
SMILES:	C(C(NC(CC1C(=O)NCC1)C(S(O)(=O)=O)O)=O)(CC(C)C)NC(=O)OCC2CCC(CC2)(F)F
InChi:	InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t14-,15-,16-,19+/m0/s1
Definition date:	2020-07-30
Last modified:	2024-09-27
Release date:	2020-08-12
Identifier:	(1R,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

VDK

VDK
Name:	[(1S,3S)-3-carboxycyclohexyl]azanium
Formula:	C7 H14 N O2
SMILES:	[NH3+][CH]1CCC[CH](C1)C(O)=O
InChi:	InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1/t5-,6-/m0/s1
Definition date:	2021-05-07
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	[(1~{S},3~{S})-3-carboxycyclohexyl]azanium

VDL

VDL
Name:	(2R,3R)-2,3-DIAMINOBUTANOIC ACID
Formula:	C4 H10 N2 O2
SMILES:	O=C(O)C(N)C(N)C
InChi:	InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3-/m1/s1
Synonyms:	D-ERITHRO-2,3-DIAMINO-BUTYRIC ACID
Definition date:	2004-07-16
Last modified:	2024-09-27
Identifier:	(2R,3R)-2,3-diaminobutanoic acid

2A1

2A1
Name:	(2S)-2-aminopropan-1-ol
Formula:	C3 H9 N O
SMILES:	C[CH](N)CO
InChi:	InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
Definition date:	2010-01-06
Last modified:	2024-09-27
Identifier:	(2S)-2-azanylpropan-1-ol

VDQ

VDQ
Name:	4-morpholin-4-ylaniline
Formula:	C10 H14 N2 O
SMILES:	Nc1ccc(cc1)N2CCOCC2
InChi:	InChI=1S/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
Synonyms:	4-Morpholinoaniline
Definition date:	2021-05-07
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	4-morpholin-4-ylaniline

2A2

2A2
Name:	4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
Formula:	C14 H19 Cl N2 O S
SMILES:	O=C(N2CCN(c1cccc(Cl)c1)CC2)CCCS
InChi:	InChI=1S/C14H19ClN2OS/c15-12-3-1-4-13(11-12)16-6-8-17(9-7-16)14(18)5-2-10-19/h1,3-4,11,19H,2,5-10H2
Definition date:	2010-09-13
Last modified:	2024-09-27
Identifier:	1-[4-(3-chlorophenyl)piperazin-1-yl]-4-sulfanylbutan-1-one

2AG

2AG
Name:	(2S)-2-aminopent-4-enoic acid
Formula:	C5 H9 N O2
SMILES:	O=C(O)C(N)C/C=C
InChi:	InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1
Synonyms:	L-allylglycine
Definition date:	2008-04-17
Last modified:	2024-09-27
Identifier:	(2S)-2-aminopent-4-enoic acid

VEE

VEE
Name:	(1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:	C15 H30 N4 O4
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1NCCCCCCCCN=[N+]=[N-]
InChi:	InChI=1S/C15H30N4O4/c16-19-18-8-6-4-2-1-3-5-7-17-12-9-13(21)15(23)14(22)11(12)10-20/h11-15,17,20-23H,1-10H2/t11-,12-,13+,14+,15+/m0/s1
Synonyms:	N-alkyl mannocyclophellitol aziridine
Definition date:	2021-05-11
Last modified:	2024-09-27
Release date:	2022-02-02
Identifier:	(1~{R},2~{R},3~{R},4~{R},5~{S})-5-(8-azidooctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol

VEG

VEG
Name:	ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate
Formula:	C25 H33 N3 O4
SMILES:	N(c1ccc(C(C)(C)C)cc1)(C(C(NCCC(OCC)=O)=O)c2cnccc2)C(=O)CC
InChi:	InChI=1S/C25H33N3O4/c1-6-21(29)28(20-12-10-19(11-13-20)25(3,4)5)23(18-9-8-15-26-17-18)24(31)27-16-14-22(30)32-7-2/h8-13,15,17,23H,6-7,14,16H2,1-5H3,(H,27,31)/t23-/m1/s1
Definition date:	2020-08-05
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate

2AS

2AS
Name:	(2S,3S)-3-methyl-aspartic acid
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(C)C(N)C(=O)O
InChi:	InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
Definition date:	1999-08-05
Last modified:	2024-09-27
Identifier:	(3S)-3-methyl-L-aspartic acid

VEJ

VEJ
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C24 H33 N3 O3
SMILES:	N(CCCOC)C(=O)C(N(c1ccc(cc1)C(C)(C)C)C(CC)=O)c2cnccc2
InChi:	InChI=1S/C24H33N3O3/c1-6-21(28)27(20-12-10-19(11-13-20)24(2,3)4)22(18-9-7-14-25-17-18)23(29)26-15-8-16-30-5/h7,9-14,17,22H,6,8,15-16H2,1-5H3,(H,26,29)/t22-/m1/s1
Definition date:	2020-08-05
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

2AW

2AW
Name:	6-({(2R,3S)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid
Formula:	C14 H23 N O9 S
SMILES:	O=C(OCC(S(=O)O)(C(C(=O)O)NCCC=O)C)CCCCC(=O)O
InChi:	InChI=1S/C14H23NO9S/c1-14(25(22)23,12(13(20)21)15-7-4-8-16)9-24-11(19)6-3-2-5-10(17)18/h8,12,15H,2-7,9H2,1H3,(H,17,18)(H,20,21)(H,22,23)/t12-,14-/m0/s1
Definition date:	2013-09-16
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	6-({(2R,3S)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid

VEM

VEM
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C23 H31 N3 O3
SMILES:	N(CCOC)C(=O)C(c1cccnc1)N(c2ccc(cc2)C(C)(C)C)C(=O)CC
InChi:	InChI=1S/C23H31N3O3/c1-6-20(27)26(19-11-9-18(10-12-19)23(2,3)4)21(17-8-7-13-24-16-17)22(28)25-14-15-29-5/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1
Definition date:	2020-08-05
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

VEP

VEP
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C25 H33 N3 O3
SMILES:	N(C1CCOCC1)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(C)(C)C)C(=O)CC
InChi:	InChI=1S/C25H33N3O3/c1-5-22(29)28(21-10-8-19(9-11-21)25(2,3)4)23(18-7-6-14-26-17-18)24(30)27-20-12-15-31-16-13-20/h6-11,14,17,20,23H,5,12-13,15-16H2,1-4H3,(H,27,30)/t23-/m1/s1
Definition date:	2020-08-05
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

VES

VES
Name:	Pyrrolidine
Formula:	C4 H9 N
SMILES:	N1CCCC1
InChi:	InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
Definition date:	2013-04-23
Last modified:	2024-09-27
Release date:	2013-05-01
Identifier:	pyrrolidine

VET

VET
Name:	[(1R,2S,4R)-2-HYDROXY-4-[(5R)-5-HYDROXY-5-METHYL-2,4-DIOXO-IMIDAZOLIDIN-1-YL]CYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C10 H17 N2 O8 P
SMILES:	C[C]1(O)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)C(=O)NC1=O
InChi:	InChI=1S/C10H17N2O8P/c1-10(16)8(14)11-9(15)12(10)6-2-5(7(13)3-6)4-20-21(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6-,7+,10-/m1/s1
Definition date:	2010-11-25
Last modified:	2024-09-27
Identifier:	[(1R,2S,4R)-2-hydroxy-4-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate

VEV

VEV
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C21 H27 N3 O2
SMILES:	N(C)C(=O)C(c1cnccc1)N(c2ccc(cc2)C(C)(C)C)C(CC)=O
InChi:	InChI=1S/C21H27N3O2/c1-6-18(25)24(17-11-9-16(10-12-17)21(2,3)4)19(20(26)22-5)15-8-7-13-23-14-15/h7-14,19H,6H2,1-5H3,(H,22,26)/t19-/m1/s1
Definition date:	2020-08-05
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

VEY

VEY
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C22 H29 N3 O2
SMILES:	N(c1ccc(C(C)(C)C)cc1)(C(CC)=O)C(c2cccnc2)C(NCC)=O
InChi:	InChI=1S/C22H29N3O2/c1-6-19(26)25(18-12-10-17(11-13-18)22(3,4)5)20(21(27)24-7-2)16-9-8-14-23-15-16/h8-15,20H,6-7H2,1-5H3,(H,24,27)/t20-/m1/s1
Definition date:	2020-08-05
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

VF2

VF2
Name:	4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline
Formula:	C22 H30 Cl N2
SMILES:	CN(C)c1ccc(C=Cc2cc[n+](CCCCCCCCl)cc2)cc1
InChi:	InChI=1S/C22H30ClN2/c1-24(2)22-12-10-20(11-13-22)8-9-21-14-18-25(19-15-21)17-7-5-3-4-6-16-23/h8-15,18-19H,3-7,16-17H2,1-2H3/q+1
Definition date:	2021-05-12
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	4-[(~{E})-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-aniline

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