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3XW

3XW
Name:	4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:	C28 H27 F3 N8 S
SMILES:	N#Cc2n(c1ccc(c(c1c2)C)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5)Cc6cnnc6
InChi:	InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)
Synonyms:	MI-503
Definition date:	2014-12-08
Last modified:	2021-03-01
Release date:	2015-04-15
Identifier:	4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

HWU

HWU
Name:	(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Formula:	C17 H27 N3 O16 P2 S
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3SC(C(O)C(O)C3NC(=O)C)CO)O)O
InChi:	InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)12(25)8(4-21)39-16(10)35-38(31,32)36-37(29,30)33-5-7-11(24)14(27)15(34-7)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12+,13-,14-,15-,16?/m1/s1
Synonyms:	URIDINE DIPHOSPHO-5-THIO-N-ACETYLGALACTOSAMINE
Definition date:	2014-04-30
Last modified:	2021-03-01
Release date:	2014-05-28
Identifier:	(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

HXD

HXD
Name:	(3R)-3-HYDROXYDODECANOIC ACID
Formula:	C12 H24 O3
SMILES:	O=C(O)CC(O)CCCCCCCCC
InChi:	InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
Synonyms:	3-OH-DODECANOATE
Definition date:	2006-01-31
Last modified:	2021-03-01
Identifier:	(3R)-3-hydroxydodecanoic acid

HXK

HXK
Name:	2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid
Formula:	C22 H28 O4 S
SMILES:	O=C(O)c2ccccc2SCc1cc(O)cc(OCCCCCCCC)c1
InChi:	InChI=1S/C22H28O4S/c1-2-3-4-5-6-9-12-26-19-14-17(13-18(23)15-19)16-27-21-11-8-7-10-20(21)22(24)25/h7-8,10-11,13-15,23H,2-6,9,12,16H2,1H3,(H,24,25)
Synonyms:	BPH-1182
Definition date:	2011-06-17
Last modified:	2021-03-01
Release date:	2016-09-07
Identifier:	2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid

HYF

HYF
Name:	4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
Formula:	C35 H52 O4
SMILES:	O=C1C2(C(O)=C(C(=O)C1(CC(CC=C(/C)C)C2(C)CCC=C(/C)C)CC=C(/C)C)CC=C(/C)C)C(=O)C(C)C
InChi:	InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33-,34-,35+/m1/s1
Synonyms:	HYPERFORIN
Definition date:	2002-06-25
Last modified:	2021-03-01
Identifier:	(1R,5S,6R,7R)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

400

400
Name:	3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
Formula:	C27 H30 N6 O2 S
SMILES:	O=C(c1sc4c(c1)nnc4NC(=O)c3ccc(N2CCN(C)CC2)cc3)NC(c5ccccc5)CC
InChi:	InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m1/s1
Synonyms:	PHA-828300
Definition date:	2009-09-03
Last modified:	2021-03-01
Identifier:	3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide

401

401
Name:	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
Formula:	C21 H21 F4 N O4
SMILES:	FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OC)CC(C(=O)O)CC
InChi:	InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
Synonyms:	(S)-2-{3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]-4-methoxybenzyl} butyric acid
Definition date:	2008-05-09
Last modified:	2021-03-01
Identifier:	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid

408

408
Name:	(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Formula:	C16 H16 F3 N O
SMILES:	FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
InChi:	InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
Synonyms:	(R)-Norfluoxetine
Definition date:	2014-12-22
Last modified:	2021-03-01
Release date:	2015-03-18
Identifier:	(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

7LX

7LX
Name:	(2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid
Formula:	C20 H20 N2 O4
SMILES:	CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O
InChi:	InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1
Synonyms:	2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid
Definition date:	2016-12-13
Last modified:	2021-03-01
Release date:	2017-06-21
Identifier:	(2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid

7NA

7NA
Name:	2-hydroxy-7-methoxy-5-methyl naphthoic acid
Formula:	C13 H12 O4
SMILES:	O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C
InChi:	InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
Synonyms:	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
Definition date:	2009-07-10
Last modified:	2021-03-01
Identifier:	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid

I0X

I0X
Name:	Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide
Formula:	C31 H34 N4 O5
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)C=[N+]=[N-])Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3
InChi:	InChI=1S/C31H34N4O5/c1-31(2,3)40-25-16-14-23(15-17-25)18-26(28(36)20-33-32)34-29(37)27(19-22-10-6-4-7-11-22)35-30(38)39-21-24-12-8-5-9-13-24/h4-17,20,26-27H,18-19,21H2,1-3H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1
Synonyms:	Z-Phe-Tyr(t-Bu)-diazomethylketone
Definition date:	2010-11-01
Last modified:	2021-03-01
Identifier:	Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-diazo-3-oxobutan-2-yl]-L-phenylalaninamide

I0Y

I0Y
Name:	Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide
Formula:	C31 H36 N2 O6
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)CO)Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3
InChi:	InChI=1S/C31H36N2O6/c1-31(2,3)39-25-16-14-23(15-17-25)18-26(28(35)20-34)32-29(36)27(19-22-10-6-4-7-11-22)33-30(37)38-21-24-12-8-5-9-13-24/h4-17,26-27,34H,18-21H2,1-3H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
Synonyms:	Z-Phe-Tyr(OBut)-COCHO
Definition date:	2010-11-01
Last modified:	2021-03-01
Identifier:	Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide

I12

I12
Name:	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Formula:	C30 H46 N6 O8
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)CC(C)C)C(C)C)C)c2noc(c2)C
InChi:	InChI=1S/C30H46N6O8/c1-8-43-24(37)10-9-21(15-20-11-12-31-27(20)39)33-28(40)22(13-16(2)3)34-30(42)25(17(4)5)35-26(38)19(7)32-29(41)23-14-18(6)44-36-23/h9-10,14,16-17,19-22,25H,8,11-13,15H2,1-7H3,(H,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,38)/b10-9+/t19-,20-,21+,22-,25-/m0/s1
Synonyms:	(E)-(S)-4-[(S)-4-METHYL-2-((S)-3-METHYL-2{(S)-2-[(5-METHYL-ISOXAZOLE-3- CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-PENTANOYLAMINO]-5-((S)-2- OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER
Definition date:	2004-08-30
Last modified:	2021-03-01
Identifier:	N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-en-1-yl]-L-leucinamide

7PE

7PE
Name:	2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Formula:	C14 H30 O7
SMILES:	O(CCOCC)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3
Synonyms:	POLYETHYLENE GLYCOL FRAGMENT
Definition date:	2005-12-28
Last modified:	2021-03-01
Identifier:	3,6,9,12,15,18-hexaoxaicosan-1-ol

7PH

7PH
Name:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
Formula:	C29 H57 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O
InChi:	InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1
Synonyms:	PHOSPHATIDIC ACID
Definition date:	2008-04-28
Last modified:	2021-03-01
Identifier:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate

7S1

7S1
Name:	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine
Formula:	C19 H17 N5
SMILES:	C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3
InChi:	InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1
Synonyms:	antagonist A804598
Definition date:	2016-12-02
Last modified:	2021-03-01
Release date:	2017-01-04
Identifier:	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine

7S4

7S4
Name:	N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide
Formula:	C26 H30 N6 O3
SMILES:	c1(cc(c(OC)cc1)OC)CC(NC(C(C)(C)C)NC(=N/C#N)Nc2cccc3c2cccn3)=O
InChi:	InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)/t24-/m0/s1
Synonyms:	antagonist A740003
Definition date:	2016-12-02
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide

QUN

QUN
Name:	QUINACRINE
Formula:	C23 H30 Cl N3 O
SMILES:	Clc2ccc1c(c3c(nc1c2)ccc(OC)c3)NC(C)CCCN(CC)CC
InChi:	InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/t16-/m1/s1
Synonyms:	6-CHLORO-9-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-2-METHOXYACRIDINE
Definition date:	2001-08-17
Last modified:	2021-03-01
Identifier:	(4R)-N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine

QV8

QV8
Name:	9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
Formula:	C20 H13 N O5 S
SMILES:	O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4
InChi:	InChI=1S/C20H13NO5S/c22-19-14-8-4-5-9-15(14)20(23)18-16(19)10-13(27(24,25)26)11-17(18)21-12-6-2-1-3-7-12/h1-11,21H,(H,24,25,26)
Synonyms:	Acid blue 25
Definition date:	2011-03-04
Last modified:	2021-03-01
Identifier:	9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid

QVV

QVV
Name:	benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
Formula:	C23 H25 N9 O5
SMILES:	CC(C)(NC(OCc1ccccc1)=O)C2=NC(=C(C(N2)=O)O)C(NCCn4c3ncnc(c3nc4)N)=O
InChi:	InChI=1S/C23H25N9O5/c1-23(2,31-22(36)37-10-13-6-4-3-5-7-13)21-29-14(16(33)20(35)30-21)19(34)25-8-9-32-12-28-15-17(24)26-11-27-18(15)32/h3-7,11-12,33H,8-10H2,1-2H3,(H,25,34)(H,31,36)(H2,24,26,27)(H,29,30,35)
Synonyms:	SJ000988248
Definition date:	2020-01-02
Last modified:	2021-03-01
Release date:	2021-02-10
Identifier:	benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

7WB

7WB
Name:	(2Z)-2-indol-3-ylidene-3H-1,3-thiazole
Formula:	C11 H8 N2 S1
SMILES:	N1C=CSC1=C2C=Nc3ccccc23
InChi:	InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+
Synonyms:	Camalexin
Definition date:	2015-06-15
Last modified:	2021-03-01
Release date:	2016-06-29
Identifier:	(2Z)-2-indol-3-ylidene-3H-1,3-thiazole

QZM

QZM
Name:	2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide
Formula:	C25 H28 N4 O7
SMILES:	c1(ccc(cc1OC)CCNC(=O)C3=C(C(=O)NC(C(C)(C)NC(=O)OCc2ccccc2)=N3)O)O
InChi:	InChI=1S/C25H28N4O7/c1-25(2,29-24(34)36-14-16-7-5-4-6-8-16)23-27-19(20(31)22(33)28-23)21(32)26-12-11-15-9-10-17(30)18(13-15)35-3/h4-10,13,30-31H,11-12,14H2,1-3H3,(H,26,32)(H,29,34)(H,27,28,33)
Synonyms:	SJ000986192
Definition date:	2020-01-17
Last modified:	2021-03-01
Release date:	2021-02-10
Identifier:	benzyl [2-(5-hydroxy-4-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

R07

R07
Name:	1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
Formula:	C24 H20 F3 N3 O3 S
SMILES:	C1(=O)C=CN5C(=C1O)C(=O)N(CN5C3c2ccccc2SCc4c3cccc4)C(C(F)(F)F)C
InChi:	InChI=1S/C24H20F3N3O3S/c1-14(24(25,26)27)28-13-30(29-11-10-18(31)22(32)21(29)23(28)33)20-16-7-3-2-6-15(16)12-34-19-9-5-4-8-17(19)20/h2-11,14,20,32H,12-13H2,1H3/t14-,20+/m1/s1
Synonyms:	RO-7
Definition date:	2017-05-11
Last modified:	2021-03-01
Release date:	2018-04-11
Identifier:	1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

R0B

R0B
Name:	(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H19 N O5 S
SMILES:	CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1
Synonyms:	hydrolyzed faropenem (ring-open form)
Definition date:	2020-08-24
Last modified:	2021-03-01
Release date:	2021-02-24
Identifier:	(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid

7Z1

7Z1
Name:	(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone
Formula:	C29 H29 F N4 O2
SMILES:	CCOc1ccc(F)c(c1)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5
InChi:	InChI=1S/C29H29FN4O2/c1-2-36-22-11-13-25(30)24(18-22)27(33-21-10-12-23-20(17-21)14-15-32-28(23)31)29(35)34-16-6-9-26(34)19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18,26-27,33H,2,6,9,16H2,1H3,(H2,31,32)/t26-,27-/m1/s1
Synonyms:	2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
Definition date:	2016-12-13
Last modified:	2021-03-01
Release date:	2017-06-21
Identifier:	(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone

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