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SNL

SNL
Name:	SPIRONOLACTONE
Formula:	C24 H32 O4 S
SMILES:	O=C5OC4(C3(C(C2C(SC(=O)C)CC1=CC(=O)CCC1(C)C2CC3)CC4)C)CC5
InChi:	InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
Synonyms:	17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID
Definition date:	2005-07-18
Last modified:	2020-05-27
Identifier:	S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate

2RT

2RT
Name:	4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
Formula:	C19 H18 N6
SMILES:	N#Cc1ccc(cc1)Nc2ncnc(n2)Nc3c(cc(cc3C)C)C
InChi:	InChI=1S/C19H18N6/c1-12-8-13(2)17(14(3)9-12)24-19-22-11-21-18(25-19)23-16-6-4-15(10-20)5-7-16/h4-9,11H,1-3H3,(H2,21,22,23,24,25)
Definition date:	2014-01-14
Last modified:	2020-05-27
Release date:	2014-11-05
Identifier:	4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile

P30

P30
Name:	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea
Formula:	C29 H32 N6 O4 S
SMILES:	O=C(Nc1noc(c1)C(C)(C)C)Nc6ccc(c4nc5sc3c(ccc(OCCN2CCOCC2)c3)n5c4)cc6
InChi:	InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
Synonyms:	Quizartinib
Definition date:	2014-11-14
Last modified:	2020-05-27
Release date:	2015-04-15
Identifier:	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea

P33

P33
Name:	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL
Formula:	C14 H30 O8
SMILES:	O(CCOCCO)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2
Synonyms:	HEPTAETHYLENE GLYCOL
Definition date:	2003-04-09
Last modified:	2020-05-27
Identifier:	3,6,9,12,15,18-hexaoxaicosane-1,20-diol

PAR

PAR
Name:	PAROMOMYCIN
Formula:	C23 H45 N5 O14
SMILES:	O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO
InChi:	InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
Synonyms:	PAROMOMYCIN I
Definition date:	2000-08-25
Last modified:	2020-05-27
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside

PE5

PE5
Name:	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL
Formula:	C18 H38 O9
SMILES:	O(CCOCCOCC)CCOCCOCCOCCOCCOCCO
InChi:	InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3
Synonyms:	2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
Definition date:	2004-07-22
Last modified:	2020-05-27
Identifier:	3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol

PEK

PEK
Name:	(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE
Formula:	C43 H78 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-,30-28-/t41-/m1/s1
Synonyms:	PHOSPHATIDYLETHANOLAMINE
Definition date:	2003-12-02
Last modified:	2020-05-27
Identifier:	(1R)-2-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

PGV

PGV
Name:	(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE
Formula:	C40 H77 O10 P
SMILES:	O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCC=C/CCCCCC
InChi:	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1
Synonyms:	PHOSPHATIDYLGLYCEROL
Definition date:	2003-12-02
Last modified:	2020-05-27
Identifier:	(1R)-2-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (11Z)-octadec-11-enoate

DF8

DF8
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C10 H15 N7 O4
SMILES:	NNc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O
InChi:	InChI=1S/C10H15N7O4/c11-7-4-8(14-2-13-7)17(10(15-4)16-12)9-6(20)5(19)3(1-18)21-9/h2-3,5-6,9,18-20H,1,12H2,(H,15,16)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
Synonyms:	NEOMYCIN A
Definition date:	2018-01-17
Last modified:	2020-05-27
Release date:	2019-01-30
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

DJN

DJN
Name:	N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
Formula:	C8 H16 N2 O4
SMILES:	O=C(NC1C(O)C(O)C(NC1)CO)C
InChi:	InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1
Synonyms:	2-acetamido-1,2-dideoxy-D-galacto-nojirimycin
Definition date:	2012-02-14
Last modified:	2020-05-27
Release date:	2012-10-05
Identifier:	N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

DK1

DK1
Name:	5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID
Formula:	C10 H5 Cl2 N O3
SMILES:	Clc1cc2nc(cc(O)c2c(Cl)c1)C(=O)O
InChi:	InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
Synonyms:	DCKA
Definition date:	2003-06-03
Last modified:	2020-05-27
Identifier:	5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid

SSE

SSE
Name:	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT
Formula:	C9 H18 O9 S Se
SMILES:	[O-]S([O-])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1
InChi:	InChI=1S/C9H20O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7-,8-,9+,20-/m1/s1
Synonyms:	SELENO-SALACINOL
Definition date:	2004-06-22
Last modified:	2020-05-27
Identifier:	({[(1R,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydroselenophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)

SU3

SU3
Name:	(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
Formula:	C38 H55 N5 O9 S
SMILES:	O=S(=O)(NC(=O)C5(NC(=O)C2N3C(=O)C(NC(=O)OCC(C)(C)CCCCc1cccc4c1CN(C(=O)OC(C2)C3)C4)C(C)(C)C)CC5CC)C6CC6
InChi:	InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
Synonyms:	vaniprevir
Definition date:	2011-08-04
Last modified:	2020-05-27
Release date:	2012-08-31
Identifier:	(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide

AZU

AZU
Name:	2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate
Formula:	C10 H15 N3 O4 S
SMILES:	CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O
InChi:	InChI=1S/C10H15N3O4S/c1-10(2,3)5-17-6(14)4-18-8-7(15)11-9(16)13-12-8/h4-5H2,1-3H3,(H2,11,13,15,16)
Definition date:	2015-11-11
Last modified:	2020-05-27
Release date:	2016-04-20
Identifier:	2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate

B3J

B3J
Name:	(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C31 H48 N4 O10 S
SMILES:	C(CC1CCNC1=O)(C(O)S(=O)(O)=O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(OC(C)(C)C)=O)=O
InChi:	InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27-/m0/s1
Definition date:	2017-07-31
Last modified:	2020-05-27
Release date:	2018-04-04
Identifier:	(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

HBB

HBB
Name:	N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE
Formula:	C30 H43 N3 O6 S
SMILES:	O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)C(C)C
InChi:	InChI=1S/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/m0/s1
Synonyms:	N-[2-HYDROXY-2-(8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-11-YL)-ETHYL]-N-(3-METHYL-BUTYL)-BENZENESULFONAMIDE
Definition date:	2005-03-07
Last modified:	2020-05-27
Identifier:	N-{(2R)-2-hydroxy-2-[(8S,11S)-8-(1-methylethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide

HBH

HBH
Name:	2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE
Formula:	C29 H40 N4 O7 S
SMILES:	O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N
InChi:	InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/m0/s1
Synonyms:	2-(11-{2-[BENZENESULFONYL-(3-METHYL-BUTYL)-AMINO]-1-HYDROXY-ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-8-YL)-ACETAMIDE
Definition date:	2005-03-08
Last modified:	2020-05-27
Identifier:	2-[(8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide

HG9

HG9
Name:	1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL
Formula:	C17 H35 N O7
SMILES:	O=C(N(CCO)CC(O)C(O)C(O)C(O)CO)CCCCCCCC
InChi:	InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16-,17+/m1/s1
Synonyms:	HG9A-9
Definition date:	2004-03-23
Last modified:	2020-05-27
Identifier:	6-deoxy-6-[(2-hydroxyethyl)(nonanoyl)amino]-D-allitol

C2M

C2M
Name:	5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE
Formula:	C11 H10 Cl2 N4
SMILES:	Clc2ccc(c1c(nc(nc1C)N)N)cc2Cl
InChi:	InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
Synonyms:	METOPRINE
Definition date:	2005-09-01
Last modified:	2020-05-27
Identifier:	5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine

C2R

C2R
Name:	5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Formula:	C9 H14 N3 O9 P
SMILES:	O=C(O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1
Synonyms:	CAIR
Definition date:	2006-04-25
Last modified:	2020-05-27
Identifier:	5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid

HKS

HKS
Name:	3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
Formula:	C12 H16 N2 O6 S
SMILES:	C(O)(C(N)Cc1cc(SCC(N)C(O)=O)c(c(c1)O)O)=O
InChi:	InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m0/s1
Synonyms:	5-cysteinyl-3,4-dihydroxyphenylalanine
Definition date:	2018-07-10
Last modified:	2020-05-27
Release date:	2019-05-22
Identifier:	3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine

CB1

CB1
Name:	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE
Formula:	C9 H8 N4 O5
SMILES:	[O-][N+](=O)c1c(cc(c(c1)[N+]([O-])=O)N2CC2)C(=O)N
InChi:	InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
Synonyms:	CB1954
Definition date:	2001-04-06
Last modified:	2020-05-27
Identifier:	5-aziridin-1-yl-2,4-dinitrobenzamide

CE2

CE2
Name:	3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE
Formula:	C10 H15 N2 O4
SMILES:	[O-]c1noc(c1CC(C([O-])=O)[NH3+])C(C)(C)C
InChi:	InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/p-1/t6-/m0/s1
Synonyms:	(S)-ATPA
Definition date:	2003-01-24
Last modified:	2020-05-27
Identifier:	(2S)-2-ammonio-3-(5-tert-butyl-3-oxidoisoxazol-4-yl)propanoate

JE2

JE2
Name:	(4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
Formula:	C32 H37 N3 O5 S
SMILES:	O=C(NCc1ccccc1C)C4N(C(=O)C(O)C(NC(=O)c2cccc(O)c2C)Cc3ccccc3)CSC4(C)C
InChi:	InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1
Synonyms:	JE-2147
Definition date:	2002-02-18
Last modified:	2020-05-27
Identifier:	(4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide

VM1

VM1
Name:	5-(2-thienyl)nicotinic acid
Formula:	C10 H7 N O2 S
SMILES:	O=C(O)c2cncc(c1sccc1)c2
InChi:	InChI=1S/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13)
Synonyms:	5-thiophen-2-ylpyridine-3-carboxylic acid
Definition date:	2009-09-18
Last modified:	2020-05-26
Identifier:	5-(thiophen-2-yl)pyridine-3-carboxylic acid

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