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KIA

KIA
Name:	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Formula:	C8 H8 O4
SMILES:	O=C1C(OC)=CC(=O)C=C1OC
InChi:	InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
Synonyms:	2,6-dimethoxy-p-benzoquinone
Definition date:	2009-01-19
Last modified:	2021-03-13
Identifier:	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione

FOF

FOF
Name:	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Formula:	C15 H26 O
SMILES:	CC(=CCCC(=CCCC(C)=[C@H]CO)C)C
InChi:	InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
Synonyms:	trans,trans-Farnesol
Definition date:	2019-02-08
Last modified:	2021-03-13
Release date:	2019-02-20
Identifier:	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

FOH

FOH
Name:	(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Formula:	C15 H26 O
SMILES:	C/C(C)=C/CCC(=C/CCC(C)=[C@H]CO)C
InChi:	InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11-
Synonyms:	cis,cis-Farnesol
Definition date:	1999-12-08
Last modified:	2021-03-13
Identifier:	(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

FOI

FOI
Name:	methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate
Formula:	C18 H15 N3 O4
SMILES:	O=C(OC)c2oc1cnccc1c2NC4C=CC3=C(NO)C=CC3=C4
InChi:	InChI=1S/C18H15N3O4/c1-24-18(22)17-16(13-6-7-19-9-15(13)25-17)20-11-3-4-12-10(8-11)2-5-14(12)21-23/h2-9,11,20-21,23H,1H3/t11-/m0/s1
Synonyms:	(E)-methyl 3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate
Definition date:	2010-12-01
Last modified:	2021-03-13
Identifier:	methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate

FSD

FSD
Name:	amicetin
Formula:	C29 H42 N6 O9
SMILES:	CC1OC(CCC1OC2C(C(C(C(C)O2)N(C)C)O)O)N4C=CC(NC(=O)c3ccc(cc3)NC(C(C)(CO)N)=O)=NC4=O
InChi:	InChI=1S/C29H42N6O9/c1-15-19(44-26-24(38)23(37)22(34(4)5)16(2)43-26)10-11-21(42-15)35-13-12-20(33-28(35)41)32-25(39)17-6-8-18(9-7-17)31-27(40)29(3,30)14-36/h6-9,12-13,15-16,19,21-24,26,36-38H,10-11,14,30H2,1-5H3,(H,31,40)(H,32,33,39,41)/t15-,16-,19+,21-,22-,23+,24-,26-,29+/m1/s1
Synonyms:	(4S)-N-{(4S)-1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl}-4-[(2-methyl-D-seryl)amino]cyclohexa-1,5-diene-1-carboxamide
Definition date:	2018-04-16
Last modified:	2021-03-13
Release date:	2019-04-10
Identifier:	N-{1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-4-[(2-methyl-L-seryl)amino]benzamide

FSY

FSY
Name:	fevipiprant
Formula:	C19 H17 F3 N2 O4 S
SMILES:	OC(Cc1c3c(n(c1C)Cc2ccc(cc2C(F)(F)F)S(=O)(=O)C)nccc3)=O
InChi:	InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
Synonyms:	(2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
Definition date:	2018-04-16
Last modified:	2021-03-13
Release date:	2018-10-03
Identifier:	(2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid

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

FTN

FTN
Name:	N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide
Formula:	C17 H16 F3 N O2
SMILES:	CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChi:	InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
Synonyms:	flutolanil
Definition date:	2010-02-19
Last modified:	2021-03-13
Identifier:	N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide

FTO

FTO
Name:	~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
Formula:	C39 H52 N4 O6
SMILES:	CC(C)C[CH](NC(=O)[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(N)=O
InChi:	InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1
Synonyms:	L-685,458
Definition date:	2020-06-15
Last modified:	2021-03-13
Release date:	2021-01-27
Identifier:	~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate

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

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

FX4

FX4
Name:	[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
Formula:	C15 H13 N O8 S
SMILES:	O=C(O)CN1C(=O)C(SC1=O)=Cc2ccc(OC)c(OCC(=O)O)c2
InChi:	InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5-
Synonyms:	[5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid
Definition date:	2009-01-21
Last modified:	2021-03-13
Identifier:	[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

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

FYX

FYX
Name:	4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE
Formula:	C13 H8 N6
SMILES:	N#Cc3nccc(c2nc(c1ccncc1)nn2)c3
InChi:	InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
Synonyms:	4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE
Definition date:	2004-01-22
Last modified:	2021-03-13
Identifier:	4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile

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

FZS

FZS
Name:	(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C14 H17 N5 O5 S2
SMILES:	OCC(NC(C(=N/OC)c1csc(N)n1)=O)C2N=C(C(O)=O)C(=C)/CS2
InChi:	InChI=1S/C14H17N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h5,7,12,20H,1,3-4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12+/m0/s1
Synonyms:	Ceftriaxone open, bound form
Definition date:	2018-05-01
Last modified:	2021-03-13
Release date:	2018-06-27
Identifier:	(2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

G12

G12
Name:	3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE
Formula:	C10 H6 Br2 O3
SMILES:	Brc2c(O)ccc1c2OC(=O)C(Br)=C1C
InChi:	InChI=1S/C10H6Br2O3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3
Synonyms:	3,8-DIBROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE
Definition date:	2007-06-28
Last modified:	2021-03-13
Identifier:	3,8-dibromo-7-hydroxy-4-methyl-2H-chromen-2-one

I1E

I1E
Name:	1-phenylpropan-1-one
Formula:	C9 H10 O
SMILES:	O=C(c1ccccc1)CC
InChi:	InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
Synonyms:	1-phenyl-2-propen-1-one, bound form
Definition date:	2011-07-26
Last modified:	2021-03-13
Identifier:	1-phenylpropan-1-one

I2P

I2P
Name:	D-MYO-INOSITOL-2,4,5-TRIPHOSPHATE
Formula:	C6 H15 O15 P3
SMILES:	O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
InChi:	InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4-,5+,6+/m0/s1
Synonyms:	D-MYO-INOSITOL-2,4,5-TRISPHOSPHATE
Definition date:	1999-07-08
Last modified:	2021-03-13
Identifier:	(1R,2R,3S,4S,5S,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]

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

I3C

I3C
Name:	5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
Formula:	C8 H4 I3 N O4
SMILES:	Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
InChi:	InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
Synonyms:	5-Amino-2,4,6-triiodoisophthalic acid
Definition date:	2008-08-11
Last modified:	2021-03-13
Identifier:	5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid

I3E

I3E
Name:	1-(4-ethylphenyl)propan-1-one
Formula:	C11 H14 O
SMILES:	O=C(c1ccc(cc1)CC)CC
InChi:	InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
Synonyms:	1-(4-ethylphenyl)prop-2-en-1-one, bound form
Definition date:	2011-07-26
Last modified:	2021-03-13
Identifier:	1-(4-ethylphenyl)propan-1-one

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

2U8

2U8
Name:	Mavoglurant
Formula:	C19 H23 N O3
SMILES:	O=C(OC)N3C2CCCC(O)(C#Cc1cccc(c1)C)C2CC3
InChi:	InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
Synonyms:	methyl (3aR,4S,7aR)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate
Definition date:	2014-02-05
Last modified:	2021-03-13
Release date:	2014-07-02
Identifier:	methyl (3aR,4S,7aR)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate

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