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7UN

7UN
Name:	(8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one
Formula:	C23 H16 Cl F3 N6 O
SMILES:	FC(F)(F)CNC=1N=CC2=CN(c3cc4cn(C)nc4cc3)C(=O)C(c3ccc(Cl)cc3)=C2N=1
InChi:	InChI=1S/C23H16ClF3N6O/c1-32-10-14-8-17(6-7-18(14)31-32)33-11-15-9-28-22(29-12-23(25,26)27)30-20(15)19(21(33)34)13-2-4-16(24)5-3-13/h2-11H,12H2,1H3,(H,29,30)
Definition date:	2021-08-20
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]pyrido[4,3-d]pyrimidin-7(6H)-one

B79

B79
Name:	(8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Formula:	C33 H38 N4 O2
SMILES:	COc1ccc(NC(=O)N2CCCCN3[CH](CN(C)C)[CH]([CH]3C2)c4ccc(cc4)C#Cc5ccccc5)cc1
InChi:	InChI=1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1
Definition date:	2020-12-22
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(8~{R},9~{S},10~{S})-10-[(dimethylamino)methyl]-~{N}-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

8S6

8S6
Name:	(3R)-3-(oxaloamino)butanoic acid
Formula:	C6 H9 N O5
SMILES:	CC(NC(=O)C(=O)O)CC(=O)O
InChi:	InChI=1S/C6H9NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3H,2H2,1H3,(H,7,10)(H,8,9)(H,11,12)/t3-/m1/s1
Definition date:	2021-09-29
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(3R)-3-(oxaloamino)butanoic acid

UJN

UJN
Name:	[oxidanyl-[(2S,3R,5S,6S)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
Formula:	C14 H26 O23 P6
SMILES:	O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](OCc2ccccc2)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C14H26O23P6/c15-38(16,17)7-39(18,19)33-12-13(36-42(26,27)28)10(34-40(20,21)22)9(32-6-8-4-2-1-3-5-8)11(35-41(23,24)25)14(12)37-43(29,30)31/h1-5,9-14H,6-7H2,(H,18,19)(H2,15,16,17)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)/t9-,10-,11+,12-,13-,14-/m1/s1
Synonyms:	[oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
Definition date:	2021-02-25
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	[oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid

UO8

UO8
Name:	2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione
Formula:	C11 H15 N5 S
SMILES:	NC1=NC(=S)c2ncn(C3CCCCC3)c2N1
InChi:	InChI=1S/C11H15N5S/c12-11-14-9-8(10(17)15-11)13-6-16(9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,14,15,17)
Definition date:	2021-03-03
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione

UQB

UQB
Name:	(1R)-2-amino-1-(4-fluorophenyl)ethanol
Formula:	C8 H10 F N O
SMILES:	NC[CH](O)c1ccc(F)cc1
InChi:	InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m0/s1
Synonyms:	(1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol
Definition date:	2021-03-06
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol

4VZ

4VZ
Name:	(5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C12 H11 N O3 S2
SMILES:	CCOc1cc(ccc1O)C=C2SC(=S)NC2=O
InChi:	InChI=1S/C12H11NO3S2/c1-2-16-9-5-7(3-4-8(9)14)6-10-11(15)13-12(17)18-10/h3-6,14H,2H2,1H3,(H,13,15,17)/b10-6-
Definition date:	2021-08-06
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4WD

4WD
Name:	(5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C13 H9 N O2 S2
SMILES:	COc1ccc(C=C2SC(=S)NC2=O)cc1C#C
InChi:	InChI=1S/C13H9NO2S2/c1-3-9-6-8(4-5-10(9)16-2)7-11-12(15)14-13(17)18-11/h1,4-7H,2H3,(H,14,15,17)/b11-7-
Definition date:	2021-08-06
Last modified:	2022-03-18
Release date:	2022-03-23
Identifier:	(5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

9L3

9L3
Name:	[(2R,3S,5R)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H17 N3 O6 P
SMILES:	Cc1c[n+](cnc1N)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
InChi:	InChI=1S/C10H16N3O6P/c1-6-3-13(5-12-10(6)11)9-2-7(14)8(19-9)4-18-20(15,16)17/h3,5,7-9,11,14H,2,4H2,1H3,(H2,15,16,17)/p+1/t7-,8+,9+/m0/s1
Definition date:	2018-05-22
Last modified:	2022-03-16
Release date:	2019-04-24
Identifier:	[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

A1V

A1V
Name:	2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid)
Formula:	C20 H12 N6 O4 S4
SMILES:	c2(nc(c1nc(CN)sc1)sc2)c3c(ccc(n3)c4nc(cs4)C(=O)O)c5scc(C(O)=O)n5
InChi:	InChI=1S/C20H12N6O4S4/c21-3-14-22-11(5-31-14)18-24-10(4-33-18)15-8(16-25-12(6-32-16)19(27)28)1-2-9(23-15)17-26-13(7-34-17)20(29)30/h1-2,4-7H,3,21H2,(H,27,28)(H,29,30)
Definition date:	2017-07-05
Last modified:	2022-03-16
Release date:	2017-11-22
Identifier:	2,2'-{6-[2'-(aminomethyl)[2,4'-bi-1,3-thiazol]-4-yl]pyridine-2,5-diyl}di(1,3-thiazole-4-carboxylic acid)

LUB

LUB
Name:	4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
Formula:	C9 H14 O4
SMILES:	CCC[CH]1OCC(=C1C(O)=O)CO
InChi:	InChI=1S/C9H14O4/c1-2-3-7-8(9(11)12)6(4-10)5-13-7/h7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	2019-09-06
Last modified:	2022-03-16
Release date:	2020-09-30
Identifier:	(2~{S})-4-(hydroxymethyl)-2-propyl-2,5-dihydrofuran-3-carboxylic acid

S0Q

S0Q
Name:	2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
Formula:	C17 H20 B N3 O7
SMILES:	CN1CCN(CC1=O)C(=O)CNC(=O)c2ccc3[CH](CC(O)=O)OB(O)c3c2
InChi:	InChI=1S/C17H20BN3O7/c1-20-4-5-21(9-15(20)23)14(22)8-19-17(26)10-2-3-11-12(6-10)18(27)28-13(11)7-16(24)25/h2-3,6,13,27H,4-5,7-9H2,1H3,(H,19,26)(H,24,25)/t13-/m0/s1
Synonyms:	2-[(3S)-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
Definition date:	2020-11-04
Last modified:	2022-03-16
Release date:	2021-08-11
Identifier:	2-[(3~{S})-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid

ZJG

ZJG
Name:	cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
Formula:	C37 H48 N6 O9 S
SMILES:	CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCC3)CCCCCC=CC2C1
InChi:	InChI=1S/C37H48N6O9S/c1-22-32(39-29-18-25(50-3)14-15-27(29)38-22)51-26-19-30-31(44)41-37(34(46)42-53(48,49)36(2)16-17-36)20-23(37)10-7-5-4-6-8-13-28(33(45)43(30)21-26)40-35(47)52-24-11-9-12-24/h7,10,14-15,18,23-24,26,28,30H,4-6,8-9,11-13,16-17,19-21H2,1-3H3,(H,40,47)(H,41,44)(H,42,46)/b10-7-/t23-,26-,28+,30+,37-/m1/s1
Definition date:	2021-04-30
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate

ZJJ

ZJJ
Name:	3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
Formula:	C37 H46 F2 N6 O9 S
SMILES:	CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CC(F)(F)C3)CCCCCC=CC2C1
InChi:	InChI=1S/C37H46F2N6O9S/c1-21-31(41-28-15-23(52-3)11-12-26(28)40-21)53-24-16-29-30(46)43-37(33(48)44-55(50,51)35(2)13-14-35)17-22(37)9-7-5-4-6-8-10-27(32(47)45(29)20-24)42-34(49)54-25-18-36(38,39)19-25/h7,9,11-12,15,22,24-25,27,29H,4-6,8,10,13-14,16-20H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t22-,24-,27+,29+,37-/m1/s1
Definition date:	2021-04-30
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate

ZKA

ZKA
Name:	(1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
Formula:	C38 H50 N6 O9 S
SMILES:	CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(C)CC3)CCCCCC=CC2C1
InChi:	InChI=1S/C38H50N6O9S/c1-23-32(40-29-18-25(51-4)12-13-27(29)39-23)53-26-19-30-31(45)42-38(34(47)43-54(49,50)37(3)16-17-37)20-24(38)10-8-6-5-7-9-11-28(33(46)44(30)21-26)41-35(48)52-22-36(2)14-15-36/h8,10,12-13,18,24,26,28,30H,5-7,9,11,14-17,19-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b10-8-/t24-,26-,28+,30+,38-/m1/s1
Definition date:	2021-04-30
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate

ZKJ

ZKJ
Name:	(2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
Formula:	C36 H45 F3 N6 O9 S
SMILES:	CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1
InChi:	InChI=1S/C36H45F3N6O9S/c1-20-30(41-27-16-23(52-4)12-13-25(27)40-20)54-24-17-28-29(46)43-35(32(48)44-55(50,51)34(3)14-15-34)18-22(35)10-8-6-5-7-9-11-26(31(47)45(28)19-24)42-33(49)53-21(2)36(37,38)39/h8,10,12-13,16,21-22,24,26,28H,5-7,9,11,14-15,17-19H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b10-8-/t21-,22-,24-,26+,28+,35-/m1/s1
Definition date:	2021-04-30
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate

I7K

I7K
Name:	1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid
Formula:	C20 H17 N O8 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCC(CC1)C(=O)O
InChi:	InChI=1S/C20H17NO8S/c22-16-11-3-1-2-4-12(11)17(23)15-13(16)9-14(18(24)19(15)25)30(28,29)21-7-5-10(6-8-21)20(26)27/h1-4,9-10,24-25H,5-8H2,(H,26,27)
Definition date:	2022-01-20
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid

I7N

I7N
Name:	N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid
Formula:	C24 H22 N2 O11 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)NC(CC(=O)O)C(=O)O
InChi:	InChI=1S/C24H22N2O11S/c27-17(28)9-15(24(34)35)25-23(33)11-4-3-7-26(10-11)38(36,37)16-8-14-18(22(32)21(16)31)20(30)13-6-2-1-5-12(13)19(14)29/h1-2,5-6,8,11,15,31-32H,3-4,7,9-10H2,(H,25,33)(H,27,28)(H,34,35)/t11-,15+/m1/s1
Definition date:	2022-01-21
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid

I7V

I7V
Name:	(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
Formula:	C20 H17 N O8 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)O
InChi:	InChI=1S/C20H17NO8S/c22-16-11-5-1-2-6-12(11)17(23)15-13(16)8-14(18(24)19(15)25)30(28,29)21-7-3-4-10(9-21)20(26)27/h1-2,5-6,8,10,24-25H,3-4,7,9H2,(H,26,27)/t10-/m1/s1
Definition date:	2022-01-21
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid

I8Q

I8Q
Name:	4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Formula:	C14 H9 N O6 S
SMILES:	O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(N)c1O
InChi:	InChI=1S/C14H9NO6S/c15-11-10-8(5-9(14(11)18)22(19,20)21)12(16)6-3-1-2-4-7(6)13(10)17/h1-5,18H,15H2,(H,19,20,21)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

I8U

I8U
Name:	3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Formula:	C14 H8 O6 S
SMILES:	O=S(=O)(O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:	InChI=1S/C14H8O6S/c15-11-5-9-10(6-12(11)21(18,19)20)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,15H,(H,18,19,20)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

I8Y

I8Y
Name:	3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Formula:	C14 H9 N O6 S
SMILES:	O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1N
InChi:	InChI=1S/C14H9NO6S/c15-11-9(22(19,20)21)5-8-10(14(11)18)13(17)7-4-2-1-3-6(7)12(8)16/h1-5,18H,15H2,(H,19,20,21)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

I91

I91
Name:	N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine
Formula:	C16 H11 N O7 S
SMILES:	O=C(O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:	InChI=1S/C16H11NO7S/c18-12-5-10-11(6-13(12)25(23,24)17-7-14(19)20)16(22)9-4-2-1-3-8(9)15(10)21/h1-6,17-18H,7H2,(H,19,20)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine

I99

I99
Name:	(3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
Formula:	C20 H17 N O7 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCCC(C1)C(=O)O
InChi:	InChI=1S/C20H17NO7S/c22-16-8-14-15(19(24)13-6-2-1-5-12(13)18(14)23)9-17(16)29(27,28)21-7-3-4-11(10-21)20(25)26/h1-2,5-6,8-9,11,22H,3-4,7,10H2,(H,25,26)/t11-/m1/s1
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid

I9C

I9C
Name:	methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate
Formula:	C17 H13 N O7 S
SMILES:	O=C(OC)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:	InChI=1S/C17H13NO7S/c1-25-15(20)8-18-26(23,24)14-7-12-11(6-13(14)19)16(21)9-4-2-3-5-10(9)17(12)22/h2-7,18-19H,8H2,1H3
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate

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