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PDB Info pages Status search Chemie search: 36426 results BIRD

CUR

CUR
Name:	(1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
Formula:	C21 H20 O6
SMILES:	O=C(C=C(/O)C=Cc1ccc(O)c(OC)c1)C=C/c2cc(OC)c(O)cc2
InChi:	InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4-,16-13-
Synonyms:	Curcumin, enol form
Definition date:	2014-05-29
Last modified:	2021-03-13
Release date:	2014-10-08
Identifier:	(1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one

CW7

CW7
Name:	Cotylenin A
Formula:	C33 H50 O11
SMILES:	O4C(C5OC6C(O)C(OC2C1=C(C(C)C)CCC1(C)CC3C(O)(COC)CCC3C(=C)C2O)OC(C46O5)COC)(C7OC7)C
InChi:	InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h16,19-22,24-29,34-36H,3,8-15H2,1-2,4-7H3/t19-,20-,21-,22+,24+,25-,26+,27+,28+,29-,30+,31-,32-,33+/m0/s1
Synonyms:	(1R,3aR,5R,6R,9aR,10aS)-6-({(1S,2R,4S,5S,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-9a-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-1,5-diol
Definition date:	2011-07-07
Last modified:	2021-03-13
Identifier:	(1R,3aR,5R,6R,9aR,10aS)-6-({(1S,2R,4S,5S,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-9a-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-1,5-diol (non-preferred name)

CXU

CXU
Name:	CLOXACILLIN (OPEN FORM)
Formula:	C19 H20 Cl N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2Cl)C
InChi:	InChI=1S/C19H20ClN3O5S/c1-9-13(14(23-28-9)10-6-4-5-7-11(10)20)16(25)21-12(8-24)17-22-15(18(26)27)19(2,3)29-17/h4-8,12,15,17,22H,1-3H3,(H,21,25)(H,26,27)/t12-,15+,17-/m1/s1
Synonyms:	(2R,4S)-2-[(1R)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Definition date:	2011-08-16
Last modified:	2021-03-13
Identifier:	(2R,4S)-2-[(1R)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

CY8

CY8
Name:	Cyclopamine
Formula:	C27 H41 N O2
SMILES:	OC6CC5=CCC4C(CC3=C(C1(OC2CC(CNC2C1C)C)CCC34)C)C5(C)CC6
InChi:	InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
Synonyms:	(3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol
Definition date:	2014-01-07
Last modified:	2021-03-13
Release date:	2014-03-05
Identifier:	(3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol

CZM

CZM
Name:	'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE'
Formula:	C22 H20 N2 O2
SMILES:	Oc3c(/C=N/c2ccccc2/N=C/c1cccc(c1O)C)cccc3C
InChi:	InChI=1S/C22H20N2O2/c1-15-7-5-9-17(21(15)25)13-23-19-11-3-4-12-20(19)24-14-18-10-6-8-16(2)22(18)26/h3-14,25-26H,1-2H3/b23-13+,24-14+
Synonyms:	3,3'-ME2-SALOPHEN
Definition date:	2003-01-30
Last modified:	2021-03-13
Identifier:	2,2'-{benzene-1,2-diylbis[nitrilo(E)methylylidene]}bis(6-methylphenol)

D2R

D2R
Name:	6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid
Formula:	C22 H23 N5 O3
SMILES:	O=C(O)CCCC#Cc1ccc(OC)cc1Cc2c(c3c(nc2)nc(nc3N)N)C
InChi:	InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)10-15-11-17(30-2)9-8-14(15)6-4-3-5-7-18(28)29/h8-9,11-12H,3,5,7,10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
Synonyms:	2,4-Diamino--5-methyl-6-[2'-(4-carboxy-1-pentynyl)-5'-methoxybenzyl]pyrido[2,3-d]pyrimidine
Definition date:	2011-08-24
Last modified:	2021-03-13
Identifier:	6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid

D3F

D3F
Name:	2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE
Formula:	C14 H7 Cl2 F3 N2 O6 S
SMILES:	2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene
InChi:	InChI=1S/C14H7Cl2F3N2O6S/c1-6-2-12(9(16)5-8(6)15)28(26,27)13-10(20(22)23)3-7(14(17,18)19)4-11(13)21(24)25/h2-5H,1H3
Synonyms:	2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL) BENZENE
Definition date:	2006-05-15
Last modified:	2021-03-13
Identifier:	2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone

KNG

KNG
Name:	Kanglemycin A
Formula:	C50 H67 N O19
SMILES:	c1(c3c(c(c6c2C(C(C)(OC=CC(C(C(C(C(C(C(C(CCC=C(C(=O)Nc1cc(c23)O)C)C(OC(C(C)(C)CC(=O)O)=O)C)O)C)O)C)OC(C)=O)C)OC5CC4C(OCO4)C(C)O5)O6)=O)C)O)O
InChi:	InChI=1S/C50H67NO19/c1-21-13-12-14-29(26(6)67-48(62)49(9,10)19-34(54)55)40(57)23(3)39(56)24(4)43(68-28(8)52)22(2)32(69-35-18-33-45(27(7)66-35)64-20-63-33)15-16-65-50(11)46(60)38-36-31(53)17-30(51-47(21)61)42(59)37(36)41(58)25(5)44(38)70-50/h13,15-17,22-24,26-27,29,32-33,35,39-40,43,45,53,56-59H,12,14,18-20H2,1-11H3,(H,51,61)(H,54,55)/b16-15+,21-13-/t22-,23+,24-,26+,27-,29-,32+,33+,35+,39-,40-,43-,45-,50+/m1/s1
Synonyms:	4-{(1S)-1-[(1S,2S,12S,16S,17R,18S,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-23-[(2,6-dideoxy-3,4-O-methylidene-beta-D-ribo-hexopyranosyl)oxy]-1,5,6,9,17,19-hexahydroxy-2,4,12,18,20,22-hexamethyl-11-oxo-1,2-dihydro-2,7-(epoxypentadec[1]enoimino)naphtho[2,1-b]furan-16-yl]ethoxy}-3,3-dimethyl-4-oxobutanoic acid
Definition date:	2018-03-16
Last modified:	2021-03-13
Release date:	2018-07-25
Identifier:	4-[(1~{S})-1-[(4~{Z},8~{S},9~{R},10~{S},11~{R},12~{R},13~{S},14~{R},15~{S},16~{E},19~{S})-15-[[(3~{a}~{R},4~{R},6~{R},7~{a}~{S})-4-methyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-13-acetyloxy-4,10,12,14,19,28-hexamethyl-9,11,23,25,27-pentakis(oxidanyl)-3,20-bis(oxidanylidene)-18,30-dioxa-2-azatetracyclo[17.6.5.0^{21,29}.0^{22,26}]triaconta-1(25),4,16,21,23,26,28-heptaen-8-yl]ethoxy]-3,3-dimethyl-4-oxidanylidene-butanoic acid

KOM

KOM
Name:	7,8-dihydroxy-4-phenyl-2H-chromen-2-one
Formula:	C15 H10 O4
SMILES:	O=C2Oc1c(O)c(O)ccc1C(=C2)c3ccccc3
InChi:	InChI=1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H
Synonyms:	4-phenyl-7,8-dihydroxycoumarine
Definition date:	2008-11-12
Last modified:	2021-03-13
Identifier:	7,8-dihydroxy-4-phenyl-2H-chromen-2-one

KRA

KRA
Name:	KURASOIN A
Formula:	C16 H14 O3
SMILES:	O=C(C(=O)Cc1ccc(O)cc1)Cc2ccccc2
InChi:	InChI=1S/C16H14O3/c17-14-8-6-13(7-9-14)11-16(19)15(18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2
Synonyms:	1-(4-HYDROXY-PHENYL)-4-PHENYL-BUTANE-2,3-DIONE
Definition date:	1999-07-08
Last modified:	2021-03-13
Identifier:	1-(4-hydroxyphenyl)-4-phenylbutane-2,3-dione

KRB

KRB
Name:	KURASOIN B
Formula:	C18 H15 N O2
SMILES:	O=C(C(=O)Cc2c1ccccc1nc2)Cc3ccccc3
InChi:	InChI=1S/C18H15NO2/c20-17(10-13-6-2-1-3-7-13)18(21)11-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2
Synonyms:	1-(2H-INDOL-3-YL)-4-PHENYL-BUTANE-2,3-DIONE
Definition date:	1999-07-08
Last modified:	2021-03-13
Identifier:	1-(1H-indol-3-yl)-4-phenylbutane-2,3-dione

KX7

KX7
Name:	Icilin
Formula:	C16 H13 N3 O4
SMILES:	C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O
InChi:	InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
Synonyms:	3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one
Definition date:	2019-01-23
Last modified:	2021-03-13
Release date:	2019-02-20
Identifier:	3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one

0GE

0GE
Name:	N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide
Formula:	C26 H38 Cl N7 O7 S
SMILES:	ClCC(O)C(NC(=O)CNC(=O)C(NS(=O)(=O)c2cccc1c(cccc12)N(C)C)CCC(=O)O)CCCNC(=[N@H])N
InChi:	InChI=1S/C26H38ClN7O7S/c1-34(2)20-9-3-7-17-16(20)6-4-10-22(17)42(40,41)33-19(11-12-24(37)38)25(39)31-15-23(36)32-18(21(35)14-27)8-5-13-30-26(28)29/h3-4,6-7,9-10,18-19,21,33,35H,5,8,11-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)/t18-,19-,21+/m0/s1
Synonyms:	1,5-DANSYL-GLU-GLY-ARG-CHLOROMETHYL KETONE, bound form
Definition date:	2008-09-14
Last modified:	2021-03-13
Identifier:	N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide

0GM

0GM
Name:	N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide
Formula:	C51 H61 N5 O6
SMILES:	O=C6NC(C(O)CC(=O)NC(C(=O)NCc1cccc(c1)CNC(=O)CCC6NC(=O)C(Cc3c2ccccc2ccc3)Cc5c4ccccc4ccc5)CC(C)C)CC(C)C
InChi:	InChI=1S/C51H61N5O6/c1-32(2)24-44-46(57)29-48(59)54-45(25-33(3)4)50(61)53-31-35-13-9-12-34(26-35)30-52-47(58)23-22-43(51(62)56-44)55-49(60)40(27-38-18-10-16-36-14-5-7-20-41(36)38)28-39-19-11-17-37-15-6-8-21-42(37)39/h5-21,26,32-33,40,43-46,57H,22-25,27-31H2,1-4H3,(H,52,58)(H,53,61)(H,54,59)(H,55,60)(H,56,62)/t43-,44-,45-,46-/m0/s1
Synonyms:	CP-129,541
Definition date:	2008-09-14
Last modified:	2021-03-13
Identifier:	N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide

0JG

0JG
Name:	methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
Formula:	C21 H21 N5 O3
SMILES:	O=C(OC)C(C#N)Cc2c(c1c(ncnc1n2/C=C/CO)N)c3ccc(cc3)C
InChi:	InChI=1S/C21H21N5O3/c1-13-4-6-14(7-5-13)17-16(10-15(11-22)21(28)29-2)26(8-3-9-27)20-18(17)19(23)24-12-25-20/h3-8,12,15,27H,9-10H2,1-2H3,(H2,23,24,25)/b8-3+/t15-/m0/s1
Synonyms:	(E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Definition date:	2012-01-23
Last modified:	2021-03-13
Identifier:	methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate

L07

L07
Name:	2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine
Formula:	C13 H13 N3 S
SMILES:	n2c1ccccc1c3sc(nc3c2N)CCC
InChi:	InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
Synonyms:	CL075
Definition date:	2013-01-22
Last modified:	2021-03-13
Release date:	2013-04-03
Identifier:	2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine

0KN

0KN
Name:	(2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide
Formula:	C31 H43 N3 O6
SMILES:	O=C(NC(Cc2ccc1OCOc1c2)C(O)CNC4c3c(ncc(c3)CC(C)(C)C)OC5(C4)CCC5)C(OC)C
InChi:	InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1
Synonyms:	(2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide
Definition date:	2012-02-03
Last modified:	2021-03-13
Identifier:	(2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide

0MA

0MA
Name:	maslinic acid
Formula:	C30 H46 O4
SMILES:	O=C(O)C54C=CC(C)(C)CC5C3=CCC1C(CCC2C1(C)CC(O)C(O)C2(C)C)(C)C3(C)CC4
InChi:	InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,12,14,19-23,31-32H,9-11,13,15-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
Synonyms:	(2beta,3beta,5beta,18alpha)-2,3-dihydroxyoleana-12,21-dien-28-oic acid
Definition date:	2007-08-06
Last modified:	2021-03-13
Identifier:	(2beta,3beta,5beta,18alpha)-2,3-dihydroxyoleana-12,21-dien-28-oic acid

0MU

0MU
Name:	(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C16 H23 N3 O8 S
SMILES:	CC(=O)OC[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=O
InChi:	InChI=1S/C16H23N3O8S/c1-8(21)27-6-9-7-28-14(19-13(9)16(25)26)11(5-20)18-12(22)4-2-3-10(17)15(23)24/h5,9-11,14H,2-4,6-7,17H2,1H3,(H,18,22)(H,23,24)(H,25,26)/t9-,10+,11+,14+/m0/s1
Synonyms:	CEPHALOSPORIN C, bound form
Definition date:	2012-03-05
Last modified:	2021-03-13
Release date:	2017-07-12
Identifier:	(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

0QS

0QS
Name:	N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Formula:	C36 H56 F2 N7 O8 S
SMILES:	O=S(=O)(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NCCN2CCOCC2)Cc3[nH+]cnc3)Cc4ccccc4)C(C)(C)C
InChi:	InChI=1S/C36H55F2N7O8S/c1-34(2,3)54(51,52)44-29(20-25-10-6-4-7-11-25)32(47)42-28(22-27-23-39-24-41-27)31(46)43-30(21-26-12-8-5-9-13-26)36(49,50)35(37,38)33(48)40-14-15-45-16-18-53-19-17-45/h4,6-7,10-11,23-24,26,28-30,44,49-50H,5,8-9,12-22H2,1-3H3,(H,39,41)(H,40,48)(H,42,47)(H,43,46)/p+1/t28-,29-,30-/m0/s1
Synonyms:	PD-135,040
Definition date:	2008-09-14
Last modified:	2021-03-13
Identifier:	N-(tert-butylsulfonyl)-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(morpholin-4-yl)ethyl]amino}-5-oxopentan-2-yl]-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide

0RM

0RM
Name:	(2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C17 H22 N2 O7 S
SMILES:	O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC
InChi:	InChI=1S/C17H22N2O7S/c1-17(2)12(16(23)24)19-14(27-17)11(15(21)22)18-13(20)10-8(25-3)6-5-7-9(10)26-4/h5-7,11-12,14,19H,1-4H3,(H,18,20)(H,21,22)(H,23,24)/t11-,12-,14+/m0/s1
Synonyms:	METHICILLIN, hydroxylated form
Definition date:	2012-05-02
Last modified:	2021-03-13
Identifier:	(2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

JYP

JYP
Name:	Adenophostin A
Formula:	C16 H26 N5 O18 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]4O)[CH]3O[P](O)(O)=O
InChi:	InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6+,8+,9+,10+,11-,12-,15-,16-/m1/s1
Synonyms:	[(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxy-oxolan-3-yl] dihydrogen phosphate
Definition date:	2018-10-23
Last modified:	2021-03-13
Release date:	2018-12-05
Identifier:	[(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxy-oxolan-3-yl] dihydrogen phosphate

K0I

K0I
Name:	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
Formula:	C22 H23 N5 O2
SMILES:	O=C(O)CCNc2nc(c1ncccc1)nc(c2)N3CCc4c(CC3)cccc4
InChi:	InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
Synonyms:	3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Definition date:	2012-05-01
Last modified:	2021-03-13
Identifier:	N-[2-(pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)pyrimidin-4-yl]-beta-alanine

K25

K25
Name:	4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE
Formula:	C9 H7 Br4 N3
SMILES:	Brc2c1nc(nc1c(Br)c(Br)c2Br)N(C)C
InChi:	InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
Synonyms:	DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE
Definition date:	2005-05-17
Last modified:	2021-03-13
Identifier:	4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine

K4D

K4D
Name:	Flecainide
Formula:	C17 H20 F6 N2 O3
SMILES:	C(c1c(ccc(c1)OCC(F)(F)F)OCC(F)(F)F)(=O)NCC2CCCCN2
InChi:	InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/t11-/m1/s1
Synonyms:	N-{[(2R)-piperidin-2-yl]methyl}-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Definition date:	2018-10-29
Last modified:	2021-03-13
Release date:	2018-12-05
Identifier:	N-{[(2R)-piperidin-2-yl]methyl}-2,5-bis(2,2,2-trifluoroethoxy)benzamide

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