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A1IDX

A1IDX
Name:	(2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid
Formula:	C19 H23 Cl F N3 O4
SMILES:	CC(C)C[CH](N[CH](Cc1cncn1Cc2cc(F)cc(Cl)c2)C(O)=O)C(O)=O
InChi:	InChI=1S/C19H23ClFN3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1
Definition date:	2024-06-06
Last modified:	2024-07-12
Release date:	2024-07-17
Identifier:	(2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

A1IF8

A1IF8
Name:	azanylidene-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-4,4-bis(fluoranyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]imino-azanium
Formula:	C32 H53 F2 N8 O8
SMILES:	CCCC[CH](NC(=O)[CH]1CC(F)(F)CN1C(=O)[CH](C)NC(=O)CN=[N+]=N)C(=O)N[CH](CC2CCCCC2)[C]3(O)O[CH](C)[CH](NC[C]3(C)O)C=O
InChi:	InChI=1S/C32H52F2N8O8/c1-5-6-12-22(39-28(46)24-14-31(33,34)18-42(24)29(47)19(2)38-26(44)15-37-41-35)27(45)40-25(13-21-10-8-7-9-11-21)32(49)30(4,48)17-36-23(16-43)20(3)50-32/h16,19-25,35-36,48-49H,5-15,17-18H2,1-4H3,(H2-,38,39,40,44,45,46)/p+1/t19-,20+,22-,23+,24-,25-,30+,32-/m0/s1
Synonyms:	epoxyketone inhibitor LU-001i
Definition date:	2024-06-27
Last modified:	2024-07-12
Release date:	2024-07-17
Identifier:	azanylidene-[2-[[(2~{S})-1-[(2~{S})-2-[[(2~{S})-1-[[(1~{S})-2-cyclohexyl-1-[(2~{R},3~{S},6~{R},7~{S})-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-4,4-bis(fluoranyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]imino-azanium

A1IG7

A1IG7
Name:	(5~{S})-5-methylpyrrolidin-2-one
Formula:	C5 H9 N O
SMILES:	C[CH]1CCC(=O)N1
InChi:	InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
Definition date:	2024-07-03
Last modified:	2024-07-12
Release date:	2024-07-10
Identifier:	(5~{S})-5-methylpyrrolidin-2-one

FH6

FH6
Name:	(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal
Formula:	C8 H14 N2 O2 S
SMILES:	C[CH]1NC(=O)C[CH]1SC[CH](N)C=O
InChi:	InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1
Definition date:	2023-07-19
Last modified:	2024-07-10
Release date:	2024-05-08
Identifier:	(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal

A1IFK

A1IFK
Name:	tert-butyl 4-[2-[[(2S)-1-[[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate
Formula:	C47 H70 N6 O11
SMILES:	COc1ccc(C[CH](NC(=O)[CH](COCc2ccccc2)NC(=O)CN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N[CH](CC4CCCCC4)[C]5(O)O[CH](C)[CH](NC[C]5(C)O)C=O)cc1
InChi:	InChI=1S/C47H70N6O11/c1-32-38(28-54)48-31-46(5,59)47(60,63-32)40(26-33-13-9-7-10-14-33)51-42(56)37(25-34-17-19-36(61-6)20-18-34)50-43(57)39(30-62-29-35-15-11-8-12-16-35)49-41(55)27-52-21-23-53(24-22-52)44(58)64-45(2,3)4/h8,11-12,15-20,28,32-33,37-40,48,59-60H,7,9-10,13-14,21-27,29-31H2,1-6H3,(H,49,55)(H,50,57)(H,51,56)/t32-,37+,38-,39+,40+,46-,47+/m1/s1
Synonyms:	epoxyketone inhibitor 13
Definition date:	2024-06-24
Last modified:	2024-07-06
Release date:	2024-07-10
Identifier:	~{tert}-butyl 4-[2-[[(2~{S})-1-[[(2~{S})-1-[[(1~{S})-2-cyclohexyl-1-[(2~{R},3~{S},6~{R},7~{S})-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

A1IFL

A1IFL
Name:	(2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide
Formula:	C36 H57 N5 O10
SMILES:	COc1ccc(C[CH](NC(=O)[CH](CCO)NC(=O)CN2CCOCC2)C(=O)N[CH](CC3CCCCC3)[C]4(O)O[CH](C)[CH](NC[C]4(C)O)C=O)cc1
InChi:	InChI=1S/C36H57N5O10/c1-24-30(22-43)37-23-35(2,47)36(48,51-24)31(20-25-7-5-4-6-8-25)40-34(46)29(19-26-9-11-27(49-3)12-10-26)39-33(45)28(13-16-42)38-32(44)21-41-14-17-50-18-15-41/h9-12,22,24-25,28-31,37,42,47-48H,4-8,13-21,23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t24-,28+,29+,30-,31+,35-,36+/m1/s1
Synonyms:	epoxyketone inhibitor 42
Definition date:	2024-06-24
Last modified:	2024-07-06
Release date:	2024-07-10
Identifier:	(2~{S})-~{N}-[(2~{S})-1-[[(1~{S})-2-cyclohexyl-1-[(2~{R},3~{S},6~{R},7~{S})-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide

YKO

YKO
Name:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid
Formula:	C23 H23 F N4 O5
SMILES:	C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4C5=CNC(=O)C(=C5)F
InChi:	InChI=1S/C23H23FN4O5/c1-11(28-10-23(33-22(28)32)6-12(7-23)8-25)14-3-2-4-15-17(19(21(30)31)27-18(14)15)13-5-16(24)20(29)26-9-13/h2-5,9,11-12,27H,6-8,10,25H2,1H3,(H,26,29)(H,30,31)/t11-,12-,23-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid

YKZ

YKZ
Name:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid
Formula:	C23 H24 N4 O5
SMILES:	C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5cncc(O)c5
InChi:	InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)6-13(7-23)8-24)16-3-2-4-17-18(14-5-15(28)10-25-9-14)20(21(29)30)26-19(16)17/h2-5,9-10,12-13,26,28H,6-8,11,24H2,1H3,(H,29,30)/t12-,13-,23-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid

YL9

YL9
Name:	7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
Formula:	C24 H26 F N3 O6 S
SMILES:	C[CH](N1C[CH](CCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4
InChi:	InChI=1S/C24H26FN3O6S/c1-13(28-11-16(8-9-26)34-24(28)31)17-4-3-5-18-20(22(23(29)30)27-21(17)18)14-6-7-15(19(25)10-14)12-35(2,32)33/h3-7,10,13,16,27H,8-9,11-12,26H2,1-2H3,(H,29,30)/t13-,16?/m0/s1
Definition date:	2023-06-19
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid

YLH

YLH
Name:	7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
Formula:	C25 H28 F N3 O6 S
SMILES:	C[CH](N1C[CH](CCCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4
InChi:	InChI=1S/C25H28FN3O6S/c1-14(29-12-17(5-4-10-27)35-25(29)32)18-6-3-7-19-21(23(24(30)31)28-22(18)19)15-8-9-16(20(26)11-15)13-36(2,33)34/h3,6-9,11,14,17,28H,4-5,10,12-13,27H2,1-2H3,(H,30,31)/t14-,17?/m0/s1
Definition date:	2023-06-19
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid

VTM

VTM
Name:	[3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid
Formula:	C22 H25 F3 N5 O3 P S
SMILES:	CSc1ccc(CO[P](C)(O)=O)cc1Nc2nc(cc(c2C#N)C(F)(F)F)N3C[CH]4CNC[CH]4C3
InChi:	InChI=1S/C22H25F3N5O3PS/c1-34(31,32)33-12-13-3-4-19(35-2)18(5-13)28-21-16(7-26)17(22(23,24)25)6-20(29-21)30-10-14-8-27-9-15(14)11-30/h3-6,14-15,27H,8-12H2,1-2H3,(H,28,29)(H,31,32)/t14-,15+
Definition date:	2023-03-31
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	[3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid

YMB

YMB
Name:	7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
Formula:	C26 H29 F N4 O6 S
SMILES:	C[CH](N1C[CH](CN2CC(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5
InChi:	InChI=1S/C26H29FN4O6S/c1-14(31-12-18(37-26(31)34)11-30-9-17(28)10-30)19-4-3-5-20-22(24(25(32)33)29-23(19)20)15-6-7-16(21(27)8-15)13-38(2,35)36/h3-8,14,17-18,29H,9-13,28H2,1-2H3,(H,32,33)/t14-,18-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid

YMF

YMF
Name:	7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid
Formula:	C21 H25 N5 O4
SMILES:	C[CH](CN)C[CH]1CN([CH](C)c2cccc3c2[nH]c(C(O)=O)c3c4c[nH]nc4)C(=O)O1
InChi:	InChI=1S/C21H25N5O4/c1-11(7-22)6-14-10-26(21(29)30-14)12(2)15-4-3-5-16-17(13-8-23-24-9-13)19(20(27)28)25-18(15)16/h3-5,8-9,11-12,14,25H,6-7,10,22H2,1-2H3,(H,23,24)(H,27,28)/t11-,12+,14-/m1/s1
Definition date:	2023-06-19
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid

Z5I

Z5I
Name:	(~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid
Formula:	C11 H9 N O2
SMILES:	OC(=O)C=Cc1c[nH]c2ccccc12
InChi:	InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
Definition date:	2023-06-22
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	(~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid

VUL

VUL
Name:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate
Formula:	C20 H32 N6 O7 S
SMILES:	CCCCCCCCCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1
Definition date:	2023-08-18
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-decanoylsulfamate

YNT

YNT
Name:	(2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol
Formula:	C13 H18 Cl N O2
SMILES:	C[CH]1NC(C)(C)CO[C]1(O)c2cccc(Cl)c2
InChi:	InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
Synonyms:	Radafaxine
Definition date:	2023-12-07
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	(2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol

YQR

YQR
Name:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid
Formula:	C22 H25 N5 O4
SMILES:	C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5cnn(C)c5
InChi:	InChI=1S/C22H25N5O4/c1-12(27-11-22(31-21(27)30)6-13(7-22)8-23)15-4-3-5-16-17(14-9-24-26(2)10-14)19(20(28)29)25-18(15)16/h3-5,9-10,12-13,25H,6-8,11,23H2,1-2H3,(H,28,29)/t12-,13-,22-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid

YQW

YQW
Name:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid
Formula:	C22 H23 N5 O5
SMILES:	C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4C5=CC(=O)NN=C5
InChi:	InChI=1S/C22H23N5O5/c1-11(27-10-22(32-21(27)31)6-12(7-22)8-23)14-3-2-4-15-17(13-5-16(28)26-24-9-13)19(20(29)30)25-18(14)15/h2-5,9,11-12,25H,6-8,10,23H2,1H3,(H,26,28)(H,29,30)/t11-,12-,22-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid

YR8

YR8
Name:	3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(piperidin-4-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid
Formula:	C25 H29 F N2 O5 S
SMILES:	C[CH](OCC1CCNCC1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4
InChi:	InChI=1S/C25H29FN2O5S/c1-15(33-13-16-8-10-27-11-9-16)19-4-3-5-20-22(24(25(29)30)28-23(19)20)17-6-7-18(21(26)12-17)14-34(2,31)32/h3-7,12,15-16,27-28H,8-11,13-14H2,1-2H3,(H,29,30)/t15-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(piperidin-4-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid

YRC

YRC
Name:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)-1~{H}-indole-2-carboxylic acid
Formula:	C26 H26 N4 O5
SMILES:	C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc6C(=O)NCc6c5
InChi:	InChI=1S/C26H26N4O5/c1-13(30-12-26(35-25(30)34)8-14(9-26)10-27)17-3-2-4-19-20(22(24(32)33)29-21(17)19)15-5-6-18-16(7-15)11-28-23(18)31/h2-7,13-14,29H,8-12,27H2,1H3,(H,28,31)(H,32,33)/t13-,14-,26-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)-1~{H}-indole-2-carboxylic acid

YRF

YRF
Name:	7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
Formula:	C25 H28 F N5 O6 S
SMILES:	C[CH](N1C[CH](CN2CC(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(F)c5
InChi:	InChI=1S/C25H28FN5O6S/c1-13(31-12-16(37-25(31)34)11-30-9-15(27)10-30)17-4-3-5-18-21(23(24(32)33)28-22(17)18)14-6-7-20(19(26)8-14)29-38(2,35)36/h3-8,13,15-16,28-29H,9-12,27H2,1-2H3,(H,32,33)/t13-,16?/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid

YRK

YRK
Name:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid
Formula:	C24 H26 N4 O6
SMILES:	COc1cc(cnc1O)c2c([nH]c3c(cccc23)[CH](C)N4C[C]5(C[CH](CN)C5)OC4=O)C(O)=O
InChi:	InChI=1S/C24H26N4O6/c1-12(28-11-24(34-23(28)32)7-13(8-24)9-25)15-4-3-5-16-18(20(22(30)31)27-19(15)16)14-6-17(33-2)21(29)26-10-14/h3-6,10,12-13,27H,7-9,11,25H2,1-2H3,(H,26,29)(H,30,31)/t12-,13-,24-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid

XU8

XU8
Name:	{4-[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetamido)methyl]-1H-1,2,3-triazol-1-yl}acetic acid
Formula:	C18 H24 N4 O3 S
SMILES:	OC(=O)Cn1cc(CNC(=O)CSCc2ccc(cc2)C(C)(C)C)nn1
InChi:	InChI=1S/C18H24N4O3S/c1-18(2,3)14-6-4-13(5-7-14)11-26-12-16(23)19-8-15-9-22(21-20-15)10-17(24)25/h4-7,9H,8,10-12H2,1-3H3,(H,19,23)(H,24,25)
Definition date:	2023-11-10
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	{4-[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}acetamido)methyl]-1H-1,2,3-triazol-1-yl}acetic acid

YRT

YRT
Name:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(oxetan-3-ylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
Formula:	C27 H29 F N4 O7 S
SMILES:	C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](=O)(=O)C6COC6)c(F)c5
InChi:	InChI=1S/C27H29FN4O7S/c1-14(32-13-27(39-26(32)35)8-15(9-27)10-29)18-3-2-4-19-22(24(25(33)34)30-23(18)19)16-5-6-21(20(28)7-16)31-40(36,37)17-11-38-12-17/h2-7,14-15,17,30-31H,8-13,29H2,1H3,(H,33,34)/t14-,15-,27-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(oxetan-3-ylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid

YRX

YRX
Name:	7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
Formula:	C27 H31 F N4 O6 S
SMILES:	C[CH](N1C[CH](CN2CC(C)(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5
InChi:	InChI=1S/C27H31FN4O6S/c1-15(32-11-18(38-26(32)35)10-31-13-27(2,29)14-31)19-5-4-6-20-22(24(25(33)34)30-23(19)20)16-7-8-17(21(28)9-16)12-39(3,36)37/h4-9,15,18,30H,10-14,29H2,1-3H3,(H,33,34)/t15-,18-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-07-05
Release date:	2024-07-10
Identifier:	7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid

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