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JDW

JDW
Name:	1-ethyl-2-[(1-ethylquinolin-2-yl)methyl]quinoline
Formula:	C23 H24 N2
SMILES:	CC[n+]1c(Cc2ccc3ccccc3[n+]2CC)ccc4ccccc14
InChi:	InChI=1S/C23H24N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-16H,3-4,17H2,1-2H3/q+2
Definition date:	2022-04-26
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methyl]quinolin-1-ium

E3I

E3I
Name:	3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide
Formula:	C30 H29 Cl2 F3 N8 O5
SMILES:	NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCN(CC2C)C2COC2)c2N=C(N(C)C(=O)c12)C(F)(F)F
InChi:	InChI=1S/C30H29Cl2F3N8O5/c1-14-9-41(16-12-48-13-16)3-4-43(14)22-7-21(20(32)8-37-22)38-23(44)11-42-10-18(15-5-17(26(36)46)25(45)19(31)6-15)24-27(42)39-29(30(33,34)35)40(2)28(24)47/h5-8,10,14,16,45H,3-4,9,11-13H2,1-2H3,(H2,36,46)(H,37,38,44)/t14-/m0/s1
Definition date:	2021-12-01
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide

WH2

WH2
Name:	N-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethan-1-amine
Formula:	C22 H30 N2 O2 S
SMILES:	COc1ccsc1CNCCC1(CC2(CCCC2)OCC1)c1ccccn1
InChi:	InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
Definition date:	2022-09-09
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethan-1-amine

WH9

WH9
Name:	5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C19 H18 Cl3 N3 O
SMILES:	Clc1cc2NC(=O)N(C3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1Cl
InChi:	InChI=1S/C19H18Cl3N3O/c20-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-18-10-16(22)15(21)9-17(18)23-19(25)26/h1-4,9-10,14H,5-8,11H2,(H,23,26)
Definition date:	2022-09-09
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one

IQ4

IQ4
Name:	~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide
Formula:	C29 H38 N6 O2 S6
SMILES:	Oc1ccc(cc1)C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)c2ccc(O)cc2
InChi:	InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43)
Synonyms:	Closthioamide
Definition date:	2022-04-06
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide

ITO

ITO
Name:	[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid
Formula:	C8 H6 Cl2 N2 O6 P2
SMILES:	O[P](O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1[P](O)(O)=O
InChi:	InChI=1S/C8H6Cl2N2O6P2/c9-3-1-5-6(2-4(3)10)12-8(20(16,17)18)7(11-5)19(13,14)15/h1-2H,(H2,13,14,15)(H2,16,17,18)
Definition date:	2022-04-12
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid

WQO

WQO
Name:	(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C17 H15 N O5
SMILES:	Nc1ccc(c(O)c1)C(=O)OC1c2ccccc2CC1C(=O)O
InChi:	InChI=1S/C17H15NO5/c18-10-5-6-12(14(19)8-10)17(22)23-15-11-4-2-1-3-9(11)7-13(15)16(20)21/h1-6,8,13,15,19H,7,18H2,(H,20,21)/t13-,15-/m0/s1
Definition date:	2022-10-13
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid

WW0

WW0
Name:	2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
Formula:	C12 H16 N4 O2
SMILES:	CCC(CC)NC(=O)c1ccnc2[NH]c(O)nc12
InChi:	InChI=1S/C12H16N4O2/c1-3-7(4-2)14-11(17)8-5-6-13-10-9(8)15-12(18)16-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H2,13,15,16,18)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide

WWC

WWC
Name:	1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide
Formula:	C10 H12 N6 O
SMILES:	CC1(CC1)C(=O)NNc1ncnc2nc[NH]c12
InChi:	InChI=1S/C10H12N6O/c1-10(2-3-10)9(17)16-15-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,16,17)(H2,11,12,13,14,15)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide

WWH

WWH
Name:	3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide
Formula:	C18 H28 N6 O
SMILES:	CCC(NC(=O)CCC1CCCCC1)CNc1ncnc2[NH]cnc21
InChi:	InChI=1S/C18H28N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h11-14H,2-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide

WWN

WWN
Name:	2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide
Formula:	C17 H26 N6 O
SMILES:	CCC(NC(=O)CC1CCCCC1)CNc1ncnc2nc[NH]c12
InChi:	InChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide

WWT

WWT
Name:	2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide
Formula:	C10 H12 N4 O2
SMILES:	CCCNC(=O)c1ccnc2[NH]c(O)nc12
InChi:	InChI=1S/C10H12N4O2/c1-2-4-12-9(15)6-3-5-11-8-7(6)13-10(16)14-8/h3,5H,2,4H2,1H3,(H,12,15)(H2,11,13,14,16)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide

WX6

WX6
Name:	(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone
Formula:	C13 H16 N4 O2
SMILES:	O=C(c1ccnc2[NH]c(O)nc21)N1CCCCCC1
InChi:	InChI=1S/C13H16N4O2/c18-12(17-7-3-1-2-4-8-17)9-5-6-14-11-10(9)15-13(19)16-11/h5-6H,1-4,7-8H2,(H2,14,15,16,19)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone

WXB

WXB
Name:	6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Formula:	C14 H16 N4 O3
SMILES:	O=C(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1
InChi:	InChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

WXF

WXF
Name:	(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone
Formula:	C12 H14 N4 O3
SMILES:	CC1CN(CCO1)C(=O)c1ccnc2[NH]c(O)nc21
InChi:	InChI=1S/C12H14N4O3/c1-7-6-16(4-5-19-7)11(17)8-2-3-13-10-9(8)14-12(18)15-10/h2-3,7H,4-6H2,1H3,(H2,13,14,15,18)/t7-/m1/s1
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone

WXK

WXK
Name:	N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide
Formula:	C11 H12 N4 O4 S
SMILES:	CC1(CC1)NS(=O)(=O)c1cnc2NC(=O)NC(=O)c2c1
InChi:	InChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide

WXO

WXO
Name:	6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Formula:	C13 H16 N4 O4 S
SMILES:	O=S(=O)(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1
InChi:	InChI=1S/C13H16N4O4S/c18-12-10-7-9(8-14-11(10)15-13(19)16-12)22(20,21)17-5-3-1-2-4-6-17/h7-8H,1-6H2,(H2,14,15,16,18,19)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

WXT

WXT
Name:	1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide
Formula:	C16 H24 N6 O
SMILES:	CC1(CCC1)C(=O)NCC(Nc1ncnc2[NH]cnc21)C(C)C
InChi:	InChI=1S/C16H24N6O/c1-10(2)11(7-17-15(23)16(3)5-4-6-16)22-14-12-13(19-8-18-12)20-9-21-14/h8-11H,4-7H2,1-3H3,(H,17,23)(H2,18,19,20,21,22)/t11-/m1/s1
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide

WXX

WXX
Name:	3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide
Formula:	C18 H28 N6 O
SMILES:	CCC(CNC(=O)CCC1CCCCC1)Nc1ncnc2[NH]ncc12
InChi:	InChI=1S/C18H28N6O/c1-2-14(23-17-15-11-22-24-18(15)21-12-20-17)10-19-16(25)9-8-13-6-4-3-5-7-13/h11-14H,2-10H2,1H3,(H,19,25)(H2,20,21,22,23,24)/t14-/m1/s1
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide

WY6

WY6
Name:	3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide
Formula:	C18 H22 N6 O
SMILES:	CCC(NC(=O)CCc1ccccc1)CNc1ncnc2nc[NH]c12
InChi:	InChI=1S/C18H22N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h3-7,11-12,14H,2,8-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide

WYI

WYI
Name:	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate
Formula:	C27 H36 N10 O3
SMILES:	CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)N1CC(CN)OCC1)c1ccccc1
InChi:	InChI=1S/C27H36N10O3/c1-27(2,3)21-12-22(35-36(21)4)31-23-19-14-29-34-24(19)33-25(32-23)30-20(17-8-6-5-7-9-17)16-40-26(38)37-10-11-39-18(13-28)15-37/h5-9,12,14,18,20H,10-11,13,15-16,28H2,1-4H3,(H3,29,30,31,32,33,34,35)/t18-,20+/m1/s1
Definition date:	2022-10-24
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate

8HA

8HA
Name:	4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide
Formula:	C21 H23 Br N4 O3
SMILES:	COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(Br)cccc34)ccc1C
InChi:	InChI=1S/C21H23BrN4O3/c1-13-6-7-14(12-18(13)29-2)23-20(27)25-10-8-15(9-11-25)26-17-5-3-4-16(22)19(17)24-21(26)28/h3-7,12,15H,8-11H2,1-2H3,(H,23,27)(H,24,28)
Definition date:	2021-10-14
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide

8I5

8I5
Name:	3N methyl nemycin B
Formula:	C24 H48 N6 O13
SMILES:	CN[CH]1C[CH](N)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O)[CH]1O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N
InChi:	InChI=1S/C24H48N6O13/c1-30-7-2-6(27)13(32)21(19(7)41-22-11(28)16(35)14(33)8(3-25)38-22)43-24-18(37)20(10(5-31)40-24)42-23-12(29)17(36)15(34)9(4-26)39-23/h6-24,30-37H,2-5,25-29H2,1H3/t6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1
Definition date:	2021-10-19
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{R},3~{S},4~{R},5~{S},6~{R})-2-(aminomethyl)-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-2-[(2~{S},3~{R},4~{R},5~{S})-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-4-azanyl-6-(methylamino)-3-oxidanyl-cyclohexyl]oxy-5-azanyl-oxane-3,4-diol

8I8

8I8
Name:	[[(2~{R},3~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[(3~{S})-3-[2-[(1~{S})-1-[[(1~{S},2~{R},3~{R},4~{S},5~{R})-5-azanyl-3-[(4~{S},5~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{E})-3-azanyl-6-(azanylmethylidene)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-2-[(2~{S},3~{R},4~{R},5~{S})-3-azanyl-6-(iminomethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohexyl]amino]-1-oxidanyl-ethyl]sulfanylethylamino]-3-oxidanyl-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Formula:	C46 H82 N13 O30 P3 S
SMILES:	CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCC[CH](O)NCCS[C](C)(O)N[CH]4C[CH](N)[CH](O)[CH](O[CH]5O[CH](CO)[CH](O[CH]6OC(=CN)[CH](O)[CH](O)[CH]6N)[CH]5O)[CH]4O[CH]7O[CH](C=N)[CH](O)[CH](O)[CH]7N
InChi:	InChI=1S/C46H82N13O30P3S/c1-45(2,13-80-92(77,78)89-91(75,76)79-12-21-35(88-90(72,73)74)31(67)41(81-21)59-15-57-25-38(52)55-14-56-39(25)59)37(69)40(70)54-5-4-22(61)53-6-7-93-46(3,71)58-17-8-16(49)26(62)36(33(17)85-42-23(50)29(65)27(63)18(9-47)82-42)87-44-32(68)34(20(11-60)84-44)86-43-24(51)30(66)28(64)19(10-48)83-43/h9-10,14-18,20-24,26-37,41-44,47,53,58,60-69,71H,4-8,11-13,48-51H2,1-3H3,(H,54,70)(H,75,76)(H,77,78)(H2,52,55,56)(H2,72,73,74)/b19-10+,47-9+/t16-,17+,18-,20-,21-,22+,23-,24-,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,41-,42-,43-,44+,46+/m1/s1
Definition date:	2021-10-19
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	[[(2~{R},3~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[(3~{S})-3-[2-[(1~{S})-1-[[(1~{S},2~{R},3~{R},4~{S},5~{R})-5-azanyl-3-[(4~{S},5~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{E})-3-azanyl-6-(azanylmethylidene)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-2-[(2~{S},3~{R},4~{R},5~{S})-3-azanyl-6-(iminomethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohexyl]amino]-1-oxidanyl-ethyl]sulfanylethylamino]-3-oxidanyl-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate

8LT

8LT
Name:	(3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one
Formula:	C27 H37 N O7 S
SMILES:	COc1ccc(CN2C[CH](O)[C](CCC(C)C)(C2=O)c3ccc(cc3O[CH](C)CO)[S](C)(=O)=O)cc1
InChi:	InChI=1S/C27H37NO7S/c1-18(2)12-13-27(23-11-10-22(36(5,32)33)14-24(23)35-19(3)17-29)25(30)16-28(26(27)31)15-20-6-8-21(34-4)9-7-20/h6-11,14,18-19,25,29-30H,12-13,15-17H2,1-5H3/t19-,25-,27+/m0/s1
Definition date:	2021-12-21
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one

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