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XXA

XXA
Name:	2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid
Formula:	C11 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C=C)C
InChi:	InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1
Definition date:	2010-11-19
Last modified:	2024-09-27
Identifier:	2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid

T8V

T8V
Name:	N-(2-chloropyridin-3-yl)acetamide
Formula:	C7 H7 Cl N2 O
SMILES:	n1cccc(c1Cl)NC(C)=O
InChi:	InChI=1S/C7H7ClN2O/c1-5(11)10-6-3-2-4-9-7(6)8/h2-4H,1H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	N-(2-chloropyridin-3-yl)acetamide

VOT

VOT
Name:	(2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide
Formula:	C31 H44 N6 O6
SMILES:	CCc1ccc(NNc2ccc(CC(=O)N[CH]([CH](C)O)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O)cc2)cc1
InChi:	InChI=1S/C31H44N6O6/c1-4-21-6-10-23(11-7-21)36-37-24-12-8-22(9-13-24)17-28(41)35-29(20(3)38)31(43)34-26-18-25(39)15-16-32-27(40)14-5-19(2)33-30(26)42/h6-13,19-20,25-26,29,36-39H,4-5,14-18H2,1-3H3,(H,32,40)(H,33,42)(H,34,43)(H,35,41)/t19-,20+,25-,26-,29-/m0/s1
Definition date:	2023-03-22
Last modified:	2024-09-27
Release date:	2023-12-27
Identifier:	(2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide

ZXM

ZXM
Name:	1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C11 H13 B N4 O5 S
SMILES:	O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2sccc2
InChi:	InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1
Definition date:	2014-07-15
Last modified:	2024-09-27
Release date:	2014-11-19
Identifier:	1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

X1L

X1L
Name:	N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Formula:	C20 H23 F2 N3 O4 S
SMILES:	FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1
InChi:	InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26)
Definition date:	2023-10-19
Last modified:	2024-09-27
Release date:	2024-05-01
Identifier:	N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide

PLW

PLW
Name:	(2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
Formula:	C10 H18 N4 O2
SMILES:	O=C(O)C(n1nncc1C(N)C(C)CC)C
InChi:	InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1
Definition date:	2011-12-08
Last modified:	2024-09-27
Identifier:	(2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid

T8Y

T8Y
Name:	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
Formula:	C8 H14 N2 O2
SMILES:	N1(CCN(CC1)C(C)=O)C(=O)C
InChi:	InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)

XFR

XFR
Name:	(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22+/m0/s1
Definition date:	2022-11-14
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

UTU

UTU
Name:	[2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H36 F N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H36FN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-09-07
Identifier:	(1R,2S)-2-{[N-({2-[(3-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

QFG

QFG
Name:	{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C16 H16 N4 O4
SMILES:	O=C1C(N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=C/c2ccccc2
InChi:	InChI=1S/C16H16N4O4/c17-11(6-7-13(18)21)15-19-12(8-10-4-2-1-3-5-10)16(24)20(15)9-14(22)23/h1-5,8,17H,6-7,9H2,(H2,18,21)(H,22,23)/b12-8+,17-11+
Synonyms:	CHROMOPHORE (GLN-PHE-GLY)
Definition date:	2011-10-13
Last modified:	2024-09-27
Identifier:	{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

Q0I

Q0I
Name:	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C22 H19 Cl N2 O3
SMILES:	CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1
Definition date:	2023-08-18
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide

ZGM

ZGM
Name:	(4S)-4-hydroxy-2-oxoheptanedioic acid
Formula:	C7 H10 O6
SMILES:	O=C(CC(O)CCC(O)=O)C(=O)O
InChi:	InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m0/s1
Definition date:	2021-04-20
Last modified:	2024-09-27
Release date:	2021-07-14
Identifier:	(4S)-4-hydroxy-2-oxoheptanedioic acid

UGN

UGN
Name:	1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
Formula:	C15 H24 N2 O2 S
SMILES:	CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2
InChi:	InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
Definition date:	2021-02-17
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine

TNQ

TNQ
Name:	6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
Formula:	C13 H15 N3 O5
SMILES:	NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O
InChi:	InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1
Definition date:	2018-08-16
Last modified:	2024-09-27
Release date:	2019-01-16
Identifier:	6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan

ZXQ

ZXQ
Name:	{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
Formula:	C13 H16 B N O5 S
SMILES:	O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1cccs1
InChi:	InChI=1S/C13H16BNO5S/c16-12(8-10-4-2-6-21-10)15-11-5-1-3-9(7-13(17)18)20-14(11)19/h1-4,6,9,11,19H,5,7-8H2,(H,15,16)(H,17,18)/t9-,11+/m1/s1
Definition date:	2022-01-13
Last modified:	2024-09-27
Release date:	2022-05-18
Identifier:	{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid

VOX

VOX
Name:	~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide
Formula:	C35 H52 N6 O6
SMILES:	C[CH](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O
InChi:	InChI=1S/C35H52N6O6/c1-23-10-15-27(16-11-23)40-41-28-17-13-26(14-18-28)8-6-4-5-7-9-32(45)39-33(25(3)42)35(47)38-30-22-29(43)20-21-36-31(44)19-12-24(2)37-34(30)46/h10-11,13-18,24-25,29-30,33,40-43H,4-9,12,19-22H2,1-3H3,(H,36,44)(H,37,46)(H,38,47)(H,39,45)/t24-,25+,29-,30-,33-/m0/s1
Definition date:	2023-03-22
Last modified:	2024-09-27
Release date:	2023-12-27
Identifier:	~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

VOY

VOY
Name:	(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
Formula:	C31 H30 N8 O3
SMILES:	CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N
InChi:	InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+
Definition date:	2020-08-31
Last modified:	2024-09-27
Release date:	2021-09-08
Identifier:	(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide

I7X

I7X
Name:	6-imidazol-1-ylhexanoic acid
Formula:	C9 H14 N2 O2
SMILES:	OC(=O)CCCCCn1ccnc1
InChi:	InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13)
Definition date:	2022-06-14
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	6-imidazol-1-ylhexanoic acid

ZGQ

ZGQ
Name:	N-[(2-methylphenyl)methyl]acetamide
Formula:	C10 H13 N O
SMILES:	CC(=O)NCc1ccccc1C
InChi:	InChI=1S/C10H13NO/c1-8-5-3-4-6-10(8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12)
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	N-[(2-methylphenyl)methyl]acetamide

VA1

VA1
Name:	{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
Formula:	C11 H10 B N O4 S
SMILES:	O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2
InChi:	InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2
Synonyms:	5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID
Definition date:	2006-09-01
Last modified:	2024-09-27
Identifier:	{5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid

T92

T92
Name:	2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate
Formula:	C24 H25 Cl N6 O2
SMILES:	CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Nc3ccccc3OC([C@H]=C)=O)n4
InChi:	InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29)
Definition date:	2016-04-21
Last modified:	2024-09-27
Release date:	2017-02-15
Identifier:	2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate

UGQ

UGQ
Name:	2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline
Formula:	C16 H17 N O2 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2
InChi:	InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3
Definition date:	2021-02-17
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline

ZXW

ZXW
Name:	5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
Formula:	C15 H24 N7 O15 P3 S
SMILES:	NC(CNC(CSP(OP(OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O)=O)=O)C=O
InChi:	InChI=1S/C15H24N7O15P3S/c16-6(15(26)27)1-18-8(23)3-41-40(32,33)37-39(30,31)36-38(28,29)34-2-7-10(24)11(25)14(35-7)22-5-21-9-12(17)19-4-20-13(9)22/h4-7,10-11,14,24-25H,1-3,16H2,(H,18,23)(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,17,19,20)/t6-,7+,10+,11+,14+/m0/s1
Definition date:	2018-01-18
Last modified:	2024-09-27
Release date:	2018-08-22
Identifier:	5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

PM3

PM3
Name:	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
Formula:	C10 H14 N O5 P
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
InChi:	InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
Definition date:	2006-05-03
Last modified:	2024-09-27
Identifier:	4-(phosphonomethyl)-L-phenylalanine

VP1

VP1
Name:	Fluorenylmethyloxycarbonyl chloride
Formula:	C15 H11 Cl O2
SMILES:	ClC(=O)OCC1c2ccccc2c3ccccc13
InChi:	InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
Definition date:	2023-03-22
Last modified:	2024-09-27
Release date:	2024-02-21
Identifier:	9~{H}-fluoren-9-ylmethyl carbonochloridate

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