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TVE

TVE
Name:	(2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid
Formula:	C22 H27 N3 O7 S
SMILES:	C[CH](O)[CH](C=O)C1=N[CH]([CH](SC2CNC(C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O
InChi:	InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-16,18-19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14?,15-,16?,18-,19-/m1/s1
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	(2~{S},3~{R},4~{R})-3-[(5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid

S8T

S8T
Name:	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
Formula:	C17 H17 F S
SMILES:	CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1
InChi:	InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3
Synonyms:	Isofloxythepin
Definition date:	2020-11-11
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine

ZSN

ZSN
Name:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
Formula:	C3 H7 N3 O3
SMILES:	O=C(N)CN(N)C(=O)O
InChi:	InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)
Synonyms:	Aza-asparagine
Definition date:	2012-06-01
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid

SO3

SO3
Name:	SULFITE ION
Formula:	O3 S
SMILES:	[O-]S([O-])=O
InChi:	InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	sulfite

WUU

WUU
Name:	N-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Formula:	C18 H14 Cl2 N2 O3
SMILES:	Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CCC2=O)c(Cl)c1
InChi:	InChI=1S/C18H14Cl2N2O3/c19-13-4-1-12(15(20)9-13)10-21-18(25)11-2-5-14(6-3-11)22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25)
Definition date:	2023-10-13
Last modified:	2024-09-27
Release date:	2024-06-26
Identifier:	N-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

420

420
Name:	N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE
Formula:	C16 H20 I N3 O3 S
SMILES:	ICC(=O)NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
InChi:	InChI=1S/C16H20IN3O3S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)19-10-9-18-16(21)11-17/h3-8,19H,9-11H2,1-2H3,(H,18,21)
Definition date:	2009-10-19
Last modified:	2024-09-27
Identifier:	N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide

V2K

V2K
Name:	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
Formula:	C16 H14 N2 O2
SMILES:	COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

V2M

V2M
Name:	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C24 H34 N4 O6
SMILES:	COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)CO
InChi:	InChI=1S/C24H34N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,20,26,29-30H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-,20+/m0/s1
Synonyms:	N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, bound form
Definition date:	2020-06-19
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

YPK

YPK
Name:	[(3S)-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
Formula:	C26 H41 N7 O3
SMILES:	CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[CH]4CCN(C4)C(=O)CCCN(C)C)cc(C)nc12
InChi:	InChI=1S/C26H41N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h15-16,18,20-21,29H,6-14,17H2,1-5H3/t21-/m0/s1
Synonyms:	HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:	2023-12-08
Last modified:	2024-09-27
Release date:	2024-05-29
Identifier:	[(3~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

T29

T29
Name:	TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)
Formula:	C22 H34 B N5 O5 S
SMILES:	O=C(NC(B(O)O)CCCSC(=[N@H])N)C2N(C(=O)C(NC(=O)CC)Cc1ccccc1)CCC2
InChi:	InChI=1S/C22H34BN5O5S/c1-2-19(29)26-16(14-15-8-4-3-5-9-15)21(31)28-12-6-10-17(28)20(30)27-18(23(32)33)11-7-13-34-22(24)25/h3-5,8-9,16-18,32-33H,2,6-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t16-,17+,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-propanoyl-D-phenylalanyl-N-[(1R)-4-(carbamimidoylsulfanyl)-1-(dihydroxyboranyl)butyl]-L-prolinamide

ZA2

ZA2
Name:	[(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B Cl N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1Cl
InChi:	InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Synonyms:	2-CHLOROBENZAMIDOMETHYLBORONIC ACID
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron

V2N

V2N
Name:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
Formula:	C16 H14 N2 O2
SMILES:	COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

ZA3

ZA3
Name:	TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
Formula:	C8 H10 B N2 O6
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O
InChi:	InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron

UAL

UAL
Name:	(2Z)-2-amino-3-(carbamoylamino)prop-2-enoic acid
Formula:	C4 H7 N3 O3
SMILES:	NC(=O)NC=C(N)C(O)=O
InChi:	InChI=1S/C4H7N3O3/c5-2(3(8)9)1-7-4(6)10/h1H,5H2,(H,8,9)(H3,6,7,10)/b2-1-
Definition date:	2010-02-05
Last modified:	2024-09-27
Identifier:	(Z)-3-(aminocarbonylamino)-2-azanyl-prop-2-enoic acid

424

424
Name:	(2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
Formula:	C25 H25 Cl2 N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Cl)cc3)CC4)C5
InChi:	InChI=1S/C25H25Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2010-10-15
Last modified:	2024-09-27
Identifier:	(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide

WUZ

WUZ
Name:	N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
Formula:	C19 H16 Cl2 N2 O3
SMILES:	Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CC(C)C2=O)c(Cl)c1
InChi:	InChI=1S/C19H16Cl2N2O3/c1-11-8-17(24)23(19(11)26)15-6-3-12(4-7-15)18(25)22-10-13-2-5-14(20)9-16(13)21/h2-7,9,11H,8,10H2,1H3,(H,22,25)/t11-/m1/s1
Definition date:	2023-10-13
Last modified:	2024-09-27
Release date:	2024-06-26
Identifier:	N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide

VXA

VXA
Name:	METHYLPHOSPHONIC ACID ESTER GROUP
Formula:	C H4 O2 P
SMILES:	[O-]P(=O)C
InChi:	InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/p-1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	methylphosphinate

ZA4

ZA4
Name:	[(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B F N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1F
InChi:	InChI=1S/C8H10BFNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron

SOA

SOA
Name:	ISATOIC ANHYDRIDE
Formula:	C7 H9 N O
SMILES:	OCc1ccccc1N
InChi:	InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2-aminophenyl)methanol

WV0

WV0
Name:	5-fluoro-1,3-dihydro-2H-indol-2-one
Formula:	C8 H6 F N O
SMILES:	Fc1cc2CC(=O)Nc2cc1
InChi:	InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:	2022-10-20
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	5-fluoro-1,3-dihydro-2H-indol-2-one

YPP

YPP
Name:	Hydrolyzed piperacillin
Formula:	C23 H29 N5 O8 S
SMILES:	O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3
InChi:	InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17-/m1/s1
Synonyms:	(2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Definition date:	2011-01-06
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

ZSX

ZSX
Name:	(2R)-amino(4-methoxyphenyl)acetic acid
Formula:	C9 H11 N O3
SMILES:	COc1ccc(cc1)C(N)C(=O)O
InChi:	InChI=1S/C9H11NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
Definition date:	2023-03-30
Last modified:	2024-09-27
Release date:	2023-06-21
Identifier:	(2R)-amino(4-methoxyphenyl)acetic acid

XRE

XRE
Name:	5-hydroxyproline
Formula:	C5 H9 N O3
SMILES:	O[CH]1CC[CH](N1)C(O)=O
InChi:	InChI=1S/C5H9NO3/c7-4-2-1-3(6-4)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
Synonyms:	(2~{S},5~{S})-5-oxidanylpyrrolidine-2-carboxylic acid
Definition date:	2023-11-08
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(2~{S},5~{S})-5-oxidanylpyrrolidine-2-carboxylic acid

ZA5

ZA5
Name:	[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H9 B F2 N O4
SMILES:	O[B-](O)(O)CNC(=O)c1c(F)cccc1F
InChi:	InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron

V2Q

V2Q
Name:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	COC1CN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde

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