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VL2

VL2
Name:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
Formula:	C24 H28 Cl Ir N4 O5 S
SMILES:	CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN3[Ir](Cl)[n+]4ccc(cc4C3=O)[N](=O)=O)cc2
InChi:	InChI=1S/C14H14N4O5S.C10H15.ClH.Ir/c15-24(22,23)12-3-1-10(2-4-12)5-7-17-14(19)13-9-11(18(20)21)6-8-16-13
Definition date:	2021-05-26
Last modified:	2021-11-26
Release date:	2021-12-01
Identifier:	4-[2-(1-chloranyl-2,3,4,5,6-pentamethyl-4'-nitro-7'-oxidanylidene-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,9'-8-aza-1-azonia-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene]-8'-yl)ethyl]benzenesulfonamide

J8F

J8F
Name:	4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile
Formula:	C19 H17 N3 O
SMILES:	CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C19H17N3O/c1-22(10-11-23)19-8-4-15(5-9-19)12-18(14-21)17-6-2-16(13-20)3-7-17/h2-9,12,23H,10-11H2,1H3/b18-12+
Definition date:	2021-04-23
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile

J8L

J8L
Name:	4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
Formula:	C19 H20 N6
SMILES:	CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C19H20N6/c1-24(2)8-9-25(3)19-14-22-18(13-23-19)10-17(12-21)16-6-4-15(11-20)5-7-16/h4-7,10,13-14H,8-9H2,1-3H3/b17-10+
Definition date:	2021-04-23
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile

J8O

J8O
Name:	4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
Formula:	C17 H15 N5 O
SMILES:	CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C17H15N5O/c1-22(6-7-23)17-12-20-16(11-21-17)8-15(10-19)14-4-2-13(9-18)3-5-14/h2-5,8,11-12,23H,6-7H2,1H3/b15-8+
Definition date:	2021-04-23
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile

J8R

J8R
Name:	4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile
Formula:	C18 H16 N4 O
SMILES:	CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C18H16N4O/c1-22(8-9-23)18-7-4-15(13-21-18)10-17(12-20)16-5-2-14(11-19)3-6-16/h2-7,10,13,23H,8-9H2,1H3/b17-10+
Definition date:	2021-04-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile

J8U

J8U
Name:	4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile
Formula:	C21 H22 N4
SMILES:	CN(C)CCN(C)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N
InChi:	InChI=1S/C21H22N4/c1-24(2)12-13-25(3)21-10-6-17(7-11-21)14-20(16-23)19-8-4-18(15-22)5-9-19/h4-11,14H,12-13H2,1-3H3/b20-14+
Definition date:	2021-04-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile

J93

J93
Name:	4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile
Formula:	C19 H15 N3 O S2
SMILES:	CN(CCO)c1sc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N
InChi:	InChI=1S/C19H15N3OS2/c1-22(6-7-23)19-10-18-17(25-19)9-16(24-18)8-15(12-21)14-4-2-13(11-20)3-5-14/h2-5,8-10,23H,6-7H2,1H3/b15-8+
Definition date:	2021-04-26
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile

RWH

RWH
Name:	3-(3-methyl-3-phenethylureido)benzenesulfonamide
Formula:	C16 H19 N3 O3 S
SMILES:	CN(CCc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)=O
InChi:	InChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22)
Synonyms:	1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea
Definition date:	2020-10-27
Last modified:	2021-11-19
Release date:	2021-11-24
Identifier:	1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea

4IQ

4IQ
Name:	4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
Formula:	C19 H25 N3 O4 S2
SMILES:	Cc1ccc(CN2CC[S](=O)(=O)N(CCc3ccc(cc3)[S](N)(=O)=O)C2)cc1
InChi:	InChI=1S/C19H25N3O4S2/c1-16-2-4-18(5-3-16)14-21-12-13-27(23,24)22(15-21)11-10-17-6-8-19(9-7-17)28(20,25)26/h2-9H,10-15H2,1H3,(H2,20,25,26)
Definition date:	2021-07-02
Last modified:	2021-11-12
Release date:	2021-11-17
Identifier:	4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide

V8P

V8P
Name:	(3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide
Formula:	C40 H79 N O9
SMILES:	C(CCCCCCCCCCCCC(C(COC1C(C(O)C(C(O1)CO)O)O)NC(=O)CC(CCCCCCCCCCCCCC)O)O)C
InChi:	InChI=1S/C40H79NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)29-36(45)41-33(31-49-40-39(48)38(47)37(46)35(30-42)50-40)34(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-35,37-40,42-44,46-48H,3-31H2,1-2H3,(H,41,45)/t32-,33+,34-,35-,37+,38+,39-,40+/m1/s1
Definition date:	2020-07-17
Last modified:	2021-11-05
Release date:	2021-11-10
Identifier:	(3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide

5I4

5I4
Name:	~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide
Formula:	C23 H19 F3 N6 O3 S2
SMILES:	Nc1nccc(n1)c2sc(nc2c3cccc(N[S](=O)(=O)c4cc(F)ccc4F)c3F)[CH]5COCCN5
InChi:	InChI=1S/C23H19F3N6O3S2/c24-12-4-5-14(25)18(10-12)37(33,34)32-15-3-1-2-13(19(15)26)20-21(16-6-7-29-23(27)30-16)36-22(31-20)17-11-35-9-8-28-17/h1-7,10,17,28,32H,8-9,11H2,(H2,27,29,30)/t17-/m0/s1
Definition date:	2021-07-09
Last modified:	2021-10-29
Release date:	2021-11-03
Identifier:	~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide

XQJ

XQJ
Name:	1-iodo-3-methylbenzene
Formula:	C7 H7 I
SMILES:	Cc1cc(ccc1)I
InChi:	InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
Synonyms:	3-iodotoluene
Definition date:	2021-01-03
Last modified:	2021-10-22
Release date:	2021-10-27
Identifier:	1-iodo-3-methylbenzene

XQM

XQM
Name:	1-iodo-4-methylbenzene
Formula:	C7 H7 I
SMILES:	Cc1ccc(I)cc1
InChi:	InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
Synonyms:	4-iodotoluene
Definition date:	2021-01-03
Last modified:	2021-10-22
Release date:	2021-10-27
Identifier:	1-iodo-4-methylbenzene

XES

XES
Name:	{(1R,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
Formula:	C16 H16 N4 O5
SMILES:	C(C1CCCC1C(C(O)=O)C(O)=O)(c2ccc(cc2)c3nnnn3)=O
InChi:	InChI=1S/C16H16N4O5/c21-13(8-4-6-9(7-5-8)14-17-19-20-18-14)11-3-1-2-10(11)12(15(22)23)16(24)25/h4-7,10-12H,1-3H2,(H,22,23)(H,24,25)(H,17,18,19,20)/t10-,11-/m1/s1
Definition date:	2020-12-15
Last modified:	2021-10-22
Release date:	2021-10-27
Identifier:	{(1R,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid

2IF

2IF
Name:	~{N}1,~{N}3-bis[4-[[(4~{R})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide
Formula:	C52 H58 Br4 N8 O14 S2
SMILES:	ONC(=O)[CH](CCCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCC[CH](N[S](=O)(=O)c2ccc(OCc3cc(Br)cc(Br)c3)cc2)C(=O)NO)N[S](=O)(=O)c4ccc(OCc5cc(Br)cc(Br)c5)cc4
InChi:	InChI=1S/C52H58Br4N8O14S2/c53-37-24-33(25-38(54)29-37)31-77-41-12-16-43(17-13-41)79(73,74)63-45(51(69)61-71)8-2-20-57-47(65)10-4-22-59-49(67)35-6-1-7-36(28-35)50(68)60-23-5-11-48(66)58-21-3-9-46(52(70)62-72)64-80(75,76)44-18-14-42(15-19-44)78-32-34-26-39(55)30-40(56)27-34/h1,6-7,12-19,24-30,45-46,63-64,71-72H,2-5,8-11,20-23,31-32H2,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t45-,46-/m1/s1
Definition date:	2021-06-17
Last modified:	2021-10-22
Release date:	2021-10-27
Identifier:	~{N}1,~{N}3-bis[4-[[(4~{R})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide

T8W

T8W
Name:	4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate
Formula:	C112 H88 O32 S8
SMILES:	Oc1c2Cc3cc(Cc4ccc(cc4)[S]([O-])(=O)=O)cc(Cc5cc(Cc6ccc(cc6)[S]([O-])(=O)=O)cc(Cc7cc(Cc8ccc(cc8)[S]([O-])(=O)=O)cc(Cc9cc(Cc%10ccc(cc%10)[S]([O-])(=O)=O)cc(Cc%11cc(Cc%12ccc(cc%12)[S]([O-])(=O)=O)cc(Cc%13cc(Cc%14ccc(cc%14)[S]([O-])(=O)=O)cc(Cc%15cc(Cc%16ccc(cc%16)[S]([O-])(=O)=O)cc(Cc1cc(Cc%17ccc(cc%17)[S]([O-])(=O)=O)c2)c%15O)c%13O)c%11O)c9O)c7O)c5O)c3O
InChi:	InChI=1S/C112H96O32S8/c113-105-81-41-73(33-65-1-17-97(18-2-65)145(121,122)123)42-82(105)58-84-44-75(35-67-5-21-99(22-6-67)147(127,128)129)46-86(107(84)115)60-88-48-77(37-69-9-25-101(26-10-69)149(133,134)135)50-90(109(88)117)62-92-52-79(39-71-13-29-103(30-14-71)151(139,140)141)54-94(111(92)119)64-96-56-80(40-72-15-31-104(32-16-72)152(142,143)144)55-95(112(96)120)63-93-53-78(38-70-11-27-102(28-12-70)150(136,137)138)51-91(110(93)118)61-89-49-76(36-68-7-23-100(24-8-68)148(130,131)132)47-87(108(89)116)59-85-45-74(43-83(57-81)106(85)114)34-66-3-19-98(20-4-66)146(124,125)126/h1-32,41-56,113-120H,33-40,57-64H2,(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)/p-8
Synonyms:	p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane
Definition date:	2020-12-18
Last modified:	2021-10-15
Release date:	2021-10-20

UDW

UDW
Name:	(S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide
Formula:	C17 H23 N5 O3 S
SMILES:	N[S](=O)(=O)c1cccc(CNc2cc(ncn2)N3CCC[CH](CO)C3)c1
InChi:	InChI=1S/C17H23N5O3S/c18-26(24,25)15-5-1-3-13(7-15)9-19-16-8-17(21-12-20-16)22-6-2-4-14(10-22)11-23/h1,3,5,7-8,12,14,23H,2,4,6,9-11H2,(H2,18,24,25)(H,19,20,21)/t14-/m1/s1
Synonyms:	3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
Definition date:	2021-02-11
Last modified:	2021-10-15
Release date:	2021-10-20
Identifier:	3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide

H0U

H0U
Name:	~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide
Formula:	C19 H16 N2 O2 S2
SMILES:	Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C)c3sc(cc3)C#N
InChi:	InChI=1S/C19H16N2O2S2/c1-13-3-8-17(9-4-13)25(22,23)21-18-11-15(6-5-14(18)2)19-10-7-16(12-20)24-19/h3-11,21H,1-2H3
Definition date:	2020-10-20
Last modified:	2021-10-15
Release date:	2021-10-20
Identifier:	~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide

E56

E56
Name:	3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile
Formula:	C21 H18 Cl N7
SMILES:	Clc1cc2[nH]nc(c3cnn(c3)c4cccc(c4)C#N)c2cc1N[CH]5CCNC5
InChi:	InChI=1S/C21H18ClN7/c22-18-8-19-17(7-20(18)26-15-4-5-24-11-15)21(28-27-19)14-10-25-29(12-14)16-3-1-2-13(6-16)9-23/h1-3,6-8,10,12,15,24,26H,4-5,11H2,(H,27,28)/t15-/m1/s1
Definition date:	2019-10-16
Last modified:	2021-10-08
Release date:	2021-10-13
Identifier:	3-[4-[6-chloranyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]-1~{H}-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile

R2W

R2W
Name:	4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide
Formula:	C16 H19 N3 O3 S2
SMILES:	N[S](=O)(=O)c1ccc(NC(=S)NCCCOc2ccccc2)cc1
InChi:	InChI=1S/C16H19N3O3S2/c17-24(20,21)15-9-7-13(8-10-15)19-16(23)18-11-4-12-22-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H2,17,20,21)(H2,18,19,23)
Synonyms:	1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea
Definition date:	2020-08-26
Last modified:	2021-10-01
Release date:	2021-10-06
Identifier:	1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea

4IO

4IO
Name:	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate
Formula:	C20 H12 Cl N3 O6 S
SMILES:	[O-][N+](=O)c1cc(ccc1)S(=O)(=O)n1ccc2cc(ccc21)C(=O)Oc1cc(Cl)cnc1
InChi:	InChI=1S/C20H12ClN3O6S/c21-15-9-17(12-22-11-15)30-20(25)14-4-5-19-13(8-14)6-7-23(19)31(28,29)18-3-1-2-16(10-18)24(26)27/h1-12H
Definition date:	2021-07-08
Last modified:	2021-09-24
Release date:	2021-09-29
Identifier:	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate

JEU

JEU
Name:	5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile
Formula:	C23 H24 N4 O3
SMILES:	CC(C)Oc1ccc(cc1C#N)c2onc(n2)c3cccc4[CH](CCc34)NCCO
InChi:	InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
Definition date:	2021-05-27
Last modified:	2021-09-24
Release date:	2021-09-29
Identifier:	5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile

VQD

VQD
Name:	(3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide
Formula:	C27 H25 F2 N5 O4
SMILES:	c1c5c(ccc1)ccc(CC(CC(=O)NO)n2cc(nn2)C3COCCN3C(=O)c4ccc(c(c4)F)F)c5
InChi:	InChI=1S/C27H25F2N5O4/c28-22-8-7-20(13-23(22)29)27(36)33-9-10-38-16-25(33)24-15-34(32-30-24)21(14-26(35)31-37)12-17-5-6-18-3-1-2-4-19(18)11-17/h1-8,11,13,15,21,25,37H,9-10,12,14,16H2,(H,31,35)/t21-,25+/m1/s1
Definition date:	2020-09-08
Last modified:	2021-09-17
Release date:	2021-09-22
Identifier:	(3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide

VJG

VJG
Name:	{(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid
Formula:	C15 H16 N4 O3
SMILES:	c1(ccc(cc1)c2nnnn2)C(C3CCCC3CC(O)=O)=O
InChi:	InChI=1S/C15H16N4O3/c20-13(21)8-11-2-1-3-12(11)14(22)9-4-6-10(7-5-9)15-16-18-19-17-15/h4-7,11-12H,1-3,8H2,(H,20,21)(H,16,17,18,19)/t11-,12+/m0/s1
Definition date:	2020-08-17
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	{(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid

VJS

VJS
Name:	{(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
Formula:	C17 H18 O7
SMILES:	C(C(C2C(C(c1ccc(cc1)CC(O)=O)=O)CCC2)C(O)=O)(O)=O
InChi:	InChI=1S/C17H18O7/c18-13(19)8-9-4-6-10(7-5-9)15(20)12-3-1-2-11(12)14(16(21)22)17(23)24/h4-7,11-12,14H,1-3,8H2,(H,18,19)(H,21,22)(H,23,24)/t11-,12-/m1/s1
Definition date:	2020-08-17
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	{(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid

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