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90Z

90Z
Name:	~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
Formula:	C27 H32 Cl N5 O3 S
SMILES:	Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)NC4CC(C)(C)N(O)C(C)(C)C4)nc2
InChi:	InChI=1S/C27H32ClN5O3S/c1-16-8-6-11-20(28)22(16)32-24(35)21-15-29-25(37-21)31-18-10-7-9-17(12-18)23(34)30-19-13-26(2,3)33(36)27(4,5)14-19/h6-12,15,19,36H,13-14H2,1-5H3,(H,29,31)(H,30,34)(H,32,35)
Definition date:	2017-03-31
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide

912

912
Name:	(2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide
Formula:	C25 H29 Cl N4 O3 S
SMILES:	Cc1cccc(Cl)c1NC(=O)[CH]2CNC(S2)=Nc3cccc(c3)C(=O)N[CH]4CC[C](C)(O)CC4
InChi:	InChI=1S/C25H29ClN4O3S/c1-15-5-3-8-19(26)21(15)30-23(32)20-14-27-24(34-20)29-18-7-4-6-16(13-18)22(31)28-17-9-11-25(2,33)12-10-17/h3-8,13,17,20,33H,9-12,14H2,1-2H3,(H,27,29)(H,28,31)(H,30,32)/t17-,20-,25-/m1/s1
Definition date:	2017-03-31
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	(2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide

91E

91E
Name:	2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
Formula:	C23 H26 Cl N5 O2 S
SMILES:	Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)NCC(C)(C)CN)nc2
InChi:	InChI=1S/C23H26ClN5O2S/c1-14-6-4-9-17(24)19(14)29-21(31)18-11-26-22(32-18)28-16-8-5-7-15(10-16)20(30)27-13-23(2,3)12-25/h4-11H,12-13,25H2,1-3H3,(H,26,28)(H,27,30)(H,29,31)
Definition date:	2017-03-31
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide

91H

91H
Name:	4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid
Formula:	C25 H25 Cl N4 O4 S
SMILES:	Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CC[CH](CC4)C(O)=O)nc2
InChi:	InChI=1S/C25H25ClN4O4S/c1-14-4-2-7-19(26)21(14)30-23(32)20-13-27-25(35-20)29-18-6-3-5-16(12-18)22(31)28-17-10-8-15(9-11-17)24(33)34/h2-7,12-13,15,17H,8-11H2,1H3,(H,27,29)(H,28,31)(H,30,32)(H,33,34)/t15-,17-
Definition date:	2017-03-31
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid

91K

91K
Name:	2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid
Formula:	C24 H23 Cl N4 O4 S
SMILES:	Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N4CC[CH](C4)CC(O)=O)nc2
InChi:	InChI=1S/C24H23ClN4O4S/c1-14-4-2-7-18(25)21(14)28-22(32)19-12-26-24(34-19)27-17-6-3-5-16(11-17)23(33)29-9-8-15(13-29)10-20(30)31/h2-7,11-12,15H,8-10,13H2,1H3,(H,26,27)(H,28,32)(H,30,31)/t15-/m1/s1
Definition date:	2017-03-31
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid

921

921
Name:	N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea
Formula:	C30 H35 N3 O2
SMILES:	C2CC(c1ccncc1)CCC2N(C(=O)N(CC=C(C)C)c4cccc(Oc3ccccc3)c4)C
InChi:	InChI=1S/C30H35N3O2/c1-23(2)18-21-33(27-8-7-11-29(22-27)35-28-9-5-4-6-10-28)30(34)32(3)26-14-12-24(13-15-26)25-16-19-31-20-17-25/h4-11,16-20,22,24,26H,12-15,21H2,1-3H3/t24-,26-
Definition date:	2017-03-29
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea

927

927
Name:	N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide
Formula:	C31 H36 N4 O2
SMILES:	C2CC(c1ccncc1)CCC2N(C(N(c4cccc(NC(=O)c3ccccc3)c4)C/C=C(/C)C)=O)C
InChi:	InChI=1S/C31H36N4O2/c1-23(2)18-21-35(29-11-7-10-27(22-29)33-30(36)26-8-5-4-6-9-26)31(37)34(3)28-14-12-24(13-15-28)25-16-19-32-20-17-25/h4-11,16-20,22,24,28H,12-15,21H2,1-3H3,(H,33,36)/t24-,28-
Definition date:	2017-03-29
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide

92A

92A
Name:	N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide
Formula:	C30 H40 Cl N3 O3
SMILES:	C(CC(=O)NC(C(=O)N1CCC(CC1)C)Cc3ccc(NC(CCc2ccc(Cl)cc2)=O)cc3)C(C)C
InChi:	InChI=1S/C30H40ClN3O3/c1-21(2)4-14-29(36)33-27(30(37)34-18-16-22(3)17-19-34)20-24-7-12-26(13-8-24)32-28(35)15-9-23-5-10-25(31)11-6-23/h5-8,10-13,21-22,27H,4,9,14-20H2,1-3H3,(H,32,35)(H,33,36)/t27-/m1/s1
Definition date:	2017-03-29
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide

8FS

8FS
Name:	1-ethynyl-2,4-difluorobenzene
Formula:	C8 H4 F2
SMILES:	Fc1cc(F)ccc1C#C
InChi:	InChI=1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
Definition date:	2017-02-02
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	1-ethynyl-2,4-difluorobenzene

8GS

8GS
Name:	2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
Formula:	C18 H17 N5 O
SMILES:	c4n(c(c3cccc(N2C(c1c(cccc1)C2)=O)n3)nn4)C(C)C
InChi:	InChI=1S/C18H17N5O/c1-12(2)23-11-19-21-17(23)15-8-5-9-16(20-15)22-10-13-6-3-4-7-14(13)18(22)24/h3-9,11-12H,10H2,1-2H3
Definition date:	2017-02-05
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one

8GV

8GV
Name:	6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
Formula:	C24 H28 N6 O3
SMILES:	n1cn(c(n1)c2cccc(n2)N5Cc3c(cc(cc3)OCC4CN(C)CCO4)C5=O)C(C)C
InChi:	InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1
Definition date:	2017-02-05
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one

8GY

8GY
Name:	2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one
Formula:	C21 H23 N5 O3
SMILES:	c1(OC(C)C)ccc4c(c1)C(N(c3cccc(c2n(cnn2)C(CO)C)n3)C4)=O
InChi:	InChI=1S/C21H23N5O3/c1-13(2)29-16-8-7-15-10-25(21(28)17(15)9-16)19-6-4-5-18(23-19)20-24-22-12-26(20)14(3)11-27/h4-9,12-14,27H,10-11H2,1-3H3/t14-/m1/s1
Definition date:	2017-02-05
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one

8MY

8MY
Name:	4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
Formula:	C15 H13 N7 O
SMILES:	c3(nc(Nc1ccc(C#N)cc1)nc(n2ccc(CO)n2)c3)N
InChi:	InChI=1S/C15H13N7O/c16-8-10-1-3-11(4-2-10)18-15-19-13(17)7-14(20-15)22-6-5-12(9-23)21-22/h1-7,23H,9H2,(H3,17,18,19,20)
Definition date:	2017-02-20
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile

92Q

92Q
Name:	~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
Formula:	C22 H22 Cl N5 O2 S
SMILES:	Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cccc(c3)C(=O)N[CH]4CCNC4)nc2
InChi:	InChI=1S/C22H22ClN5O2S/c1-13-4-2-7-17(23)19(13)28-21(30)18-12-25-22(31-18)27-15-6-3-5-14(10-15)20(29)26-16-8-9-24-11-16/h2-7,10,12,16,24H,8-9,11H2,1H3,(H,25,27)(H,26,29)(H,28,30)/t16-/m0/s1
Definition date:	2017-04-10
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide

9CM

9CM
Name:	(2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide
Formula:	C8 H11 N3 O6 S
SMILES:	C1(=CC(C(N)=O)N2CC1N(C2=O)OS(=O)(O)=O)C
InChi:	InChI=1S/C8H11N3O6S/c1-4-2-5(7(9)12)10-3-6(4)11(8(10)13)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6-/m0/s1
Definition date:	2017-04-19
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	(2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide

9CP

9CP
Name:	(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
Formula:	C8 H13 N3 O6 S
SMILES:	C1(C=C(C)C(CN1C=O)NOS(O)(=O)=O)C(=O)N
InChi:	InChI=1S/C8H13N3O6S/c1-5-2-7(8(9)13)11(4-12)3-6(5)10-17-18(14,15)16/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7-/m0/s1
Definition date:	2017-04-19
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide

9EM

9EM
Name:	4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one
Formula:	C25 H25 F3 N8 O2
SMILES:	CC1(C)C(=O)N(CCN1C(=O)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F
InChi:	InChI=1S/C25H25F3N8O2/c1-15(37)34-10-9-33(23(38)24(34,2)3)17-6-4-5-16(11-17)20-12-18(21-22(29)30-14-32-36(20)21)19-7-8-31-35(19)13-25(26,27)28/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,29,30,32)
Definition date:	2017-04-27
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one

6RJ

6RJ
Name:	4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide
Formula:	C19 H12 Cl N5 O3 S2
SMILES:	Clc1ccc(Oc2ccc(cc2C#N)[S](=O)(=O)Nc3sccn3)c(c1)c4c[nH]nc4
InChi:	InChI=1S/C19H12ClN5O3S2/c20-14-1-3-18(16(8-14)13-10-23-24-11-13)28-17-4-2-15(7-12(17)9-21)30(26,27)25-19-22-5-6-29-19/h1-8,10-11H,(H,22,25)(H,23,24)
Definition date:	2016-06-03
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide

2IT

2IT
Name:	(2Z)-2-iminopentanedioic acid
Formula:	C5 H7 N O4
SMILES:	O=C(O)CCC(=[N@H])C(=O)O
InChi:	InChI=1S/C5H7NO4/c6-3(5(9)10)1-2-4(7)8/h6H,1-2H2,(H,7,8)(H,9,10)/b6-3-
Definition date:	2015-01-28
Last modified:	2017-06-02
Release date:	2017-06-07
Identifier:	(2Z)-2-iminopentanedioic acid

J6W

J6W
Name:	(5-methyl-1-benzothiophen-2-yl)methanol
Formula:	C10 H10 O S
SMILES:	Cc1ccc2sc(CO)cc2c1
InChi:	InChI=1S/C10H10OS/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5,11H,6H2,1H3
Definition date:	2017-01-18
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(5-methyl-1-benzothiophen-2-yl)methanol

ZHA

ZHA
Name:	~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide
Formula:	C12 H13 N O2
SMILES:	CC(=O)Nc1ccc2C(=O)CCCc2c1
InChi:	InChI=1S/C12H13NO2/c1-8(14)13-10-5-6-11-9(7-10)3-2-4-12(11)15/h5-7H,2-4H2,1H3,(H,13,14)
Definition date:	2017-01-23
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide

YY9

YY9
Name:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C31 H35 Cl2 N7 O4
SMILES:	COc1c(c(c(c(c1)OC)Cl)N2C(N(c4c(C2)cnc(Nc3ccccc3)n4)C5CCN(CC5)C(=O)C=[C@H]CN(C)C)=O)Cl
InChi:	InChI=1S/C31H35Cl2N7O4/c1-37(2)14-8-11-25(41)38-15-12-22(13-16-38)40-29-20(18-34-30(36-29)35-21-9-6-5-7-10-21)19-39(31(40)42)28-26(32)23(43-3)17-24(44-4)27(28)33/h5-11,17-18,22H,12-16,19H2,1-4H3,(H,34,35,36)
Definition date:	2017-02-09
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

KS3

KS3
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol
Formula:	C18 H19 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc4ccccc4c3
InChi:	InChI=1S/C18H19N3O5/c22-8-12-13(23)14(24)15(25)16(26-12)18-19-17(20-21-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-16,22-25H,8H2,(H,19,20,21)/t12-,13-,14+,15-,16-/m1/s1
Definition date:	2016-08-19
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol

7B9

7B9
Name:	[5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
Formula:	C16 H22 N3 O7 P
SMILES:	OP(O)(=O)OCc2c(CNC=1C(C=C(NC=1)CCCO)=O)c(O)c(nc2)C
InChi:	InChI=1S/C16H22N3O7P/c1-10-16(22)13(11(6-17-10)9-26-27(23,24)25)7-19-14-8-18-12(3-2-4-20)5-15(14)21/h5-6,8,19-20,22H,2-4,7,9H2,1H3,(H,18,21)(H2,23,24,25)
Definition date:	2016-09-28
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	[5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate

7BN

7BN
Name:	(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula:	C24 H39 N5 O14
SMILES:	CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH](O)CO)(n2cc(CCC(=O)NCC[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)nn2)C(O)=O
InChi:	InChI=1S/C24H39N5O14/c1-10(32)26-17-12(33)6-24(23(40)41,43-22(17)18(36)13(34)8-30)29-7-11(27-28-29)2-3-16(35)25-5-4-14-19(37)21(39)20(38)15(9-31)42-14/h7,12-15,17-22,30-31,33-34,36-39H,2-6,8-9H2,1H3,(H,25,35)(H,26,32)(H,40,41)/t12-,13+,14-,15+,17+,18+,19-,20-,21+,22+,24+/m0/s1
Definition date:	2016-09-29
Last modified:	2017-05-26
Release date:	2017-05-31
Identifier:	(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

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