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1BN

1BN
Name:	1-BENZYL-1H-IMIDAZOLE
Formula:	C10 H10 N2
SMILES:	n1ccn(c1)Cc2ccccc2
InChi:	InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
Synonyms:	1-BENZYLIMIDAZOLE
Definition date:	2005-08-01
Last modified:	2021-03-01
Identifier:	1-benzyl-1H-imidazole

1BU

1BU
Name:	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
Formula:	C29 H30 N8 O
SMILES:	O=C(Nc3ccc(Nc2ncnc1c2cc(N)cc1)cc3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C
InChi:	InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
Synonyms:	1-[4-(6-Amino-quinazolin-4-ylamino)-phenyl]-3-(5-tert-butyl-2-m-tolyl-2H-pyrazol-3-yl)-urea
Definition date:	2008-11-05
Last modified:	2021-03-01
Identifier:	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea

WPC

WPC
Name:	[29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron
Formula:	C32 H16 Fe N8
SMILES:	N1=C5c%12c(C=4N=C8c%11ccccc%11C7=NC%10=[N+]6C(=Nc3n(c1c2ccccc23)[Fe]6([N+]=45)N78)c9ccccc9%10)cccc%12
InChi:	InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25
Synonyms:	Phthalocyanine containing Fe
Definition date:	2013-03-27
Last modified:	2021-03-01
Release date:	2014-01-29
Identifier:	[29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron(2+)

JB7

JB7
Name:	N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid
Formula:	C21 H28 Br N3 O8
SMILES:	Brc1ccc(cc1)CN(C(=O)C)CCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C21H28BrN3O8/c1-13(26)25(12-14-5-7-15(22)8-6-14)11-3-2-4-16(19(29)30)23-21(33)24-17(20(31)32)9-10-18(27)28/h5-8,16-17H,2-4,9-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H2,23,24,33)/t16-,17-/m0/s1
Synonyms:	(S)-2-(3-((S)-5-(N-(4-bromobenzyl)acetamido)-1-carboxypentyl)ureido)pentanedioic acid
Definition date:	2013-11-21
Last modified:	2021-03-01
Release date:	2014-06-18
Identifier:	N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid

JB9

JB9
Name:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide
Formula:	C31 H45 N7 O11
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4cccc(C=CCN=C(N)N)c4)nn3)[CH]2O)[CH](CO)O[CH]1OCC=C
InChi:	InChI=1S/C31H45N7O11/c1-3-10-45-29-23(35-17(2)41)25(43)27(22(15-40)48-29)49-30-26(44)28(24(42)21(14-39)47-30)46-16-20-13-38(37-36-20)12-19-7-4-6-18(11-19)8-5-9-34-31(32)33/h3-8,11,13,21-30,39-40,42-44H,1,9-10,12,14-16H2,2H3,(H,35,41)(H4,32,33,34)/b8-5-/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30+/m1/s1
Synonyms:	JB97
Definition date:	2017-01-19
Last modified:	2021-03-01
Release date:	2018-02-14
Identifier:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide

GGM

GGM
Name:	3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate
Formula:	C18 H24 N7 O14 P3
SMILES:	O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC
InChi:	InChI=1S/C18H24N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,12-13,16,20,26H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,12-,13-,16-/m1/s1
Synonyms:	MANT-GMPPNP
Definition date:	2011-08-03
Last modified:	2021-03-01
Identifier:	5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine

1CY

1CY
Name:	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Formula:	C11 H14 Cl N5
SMILES:	Clc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
InChi:	InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
Synonyms:	Cycloguanil
Definition date:	2009-08-25
Last modified:	2021-03-01
Identifier:	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

GHA

GHA
Name:	1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT
Formula:	C9 H18 N O9 S
SMILES:	[O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)CO)CO
InChi:	InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1
Synonyms:	GHAVAMIOL
Definition date:	2004-06-22
Last modified:	2021-03-01
Identifier:	({[(1S,2R)-3-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide

WR7

WR7
Name:	2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
Formula:	C13 H14 Cl3 N7 O4
SMILES:	ClC(Cl)(Cl)C(Nc1ncccn1)NC(=O)OCCn2c(cnc2C)[N+]([O-])=O
InChi:	InChI=1S/C13H14Cl3N7O4/c1-8-19-7-9(23(25)26)22(8)5-6-27-12(24)21-10(13(14,15)16)20-11-17-3-2-4-18-11/h2-4,7,10H,5-6H2,1H3,(H,21,24)(H,17,18,20)/t10-/m1/s1
Synonyms:	apcin
Definition date:	2013-10-22
Last modified:	2021-03-01
Release date:	2014-08-20
Identifier:	2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate

WSK

WSK
Name:	(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL
Formula:	C17 H18 Br2 N2 O
SMILES:	Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C
InChi:	InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1
Synonyms:	(S)-WISKOSTATIN
Definition date:	2004-06-01
Last modified:	2021-03-01
Identifier:	(2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol

GKM

GKM
Name:	1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
Formula:	C39 H52 N6 O9 S
SMILES:	C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O
InChi:	InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1
Synonyms:	P4-3(AJ-74)
Definition date:	2018-05-24
Last modified:	2021-03-01
Release date:	2019-07-31
Identifier:	1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

WUL

WUL
Name:	8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE
Formula:	C15 H14 Br N3 O3
SMILES:	Brc4cc3c(oc1c3N=C(NC1=O)CN2CCC(O)C2)cc4
InChi:	InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
Synonyms:	(S)-8-BROMO-2-((3-HYDROXYPYRROLIDIN-1-YL)METHYL)
Definition date:	2012-03-20
Last modified:	2021-03-01
Identifier:	8-bromo-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

GM6

GM6
Name:	3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE
Formula:	C20 H28 N4 O4
SMILES:	O=C(NO)CC(C(=O)NC(C(=O)NC)Cc2c1ccccc1nc2)CC(C)C
InChi:	InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
Synonyms:	GM6001
Definition date:	2003-07-03
Last modified:	2021-03-01
Identifier:	(2R)-N~4~-hydroxy-N~1~-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide

1IQ

1IQ
Name:	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID
Formula:	C17 H17 N3 O3
SMILES:	O=C(O)c2c(nc1ccccc1c2)C3=NC(C(=O)N3)(C(C)C)C
InChi:	InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1
Synonyms:	IMAZAQUIN
Definition date:	2005-04-04
Last modified:	2021-03-01
Identifier:	2-[(4R)-4-methyl-4-(1-methylethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid

GN0

GN0
Name:	(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
Formula:	C25 H23 Cl N2 O3 S2
SMILES:	OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5
InChi:	InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1
Synonyms:	inhibitor GNE-140
Definition date:	2015-05-19
Last modified:	2021-03-01
Release date:	2016-05-18
Identifier:	(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one

1KN

1KN
Name:	(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
Formula:	C12 H17 N O3
SMILES:	OC2C(c1ccc(OC)cc1)NC(C)C2O
InChi:	InChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10-,11+,12-/m0/s1
Synonyms:	N-desmethyl-4-epi-(+)-Codonopsinine
Definition date:	2013-03-08
Last modified:	2021-03-01
Release date:	2013-09-18
Identifier:	(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol

1KX

1KX
Name:	{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
Formula:	C14 H18 N6 O
SMILES:	n1c(c2ncn(c2nc1N)C3C=CC(CO)C3)NC4CC4
InChi:	InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
Synonyms:	Abacavir
Definition date:	2011-12-06
Last modified:	2021-03-01
Identifier:	{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol

1LD

1LD
Name:	5-fluorocytosine
Formula:	C4 H4 F N3 O
SMILES:	FC1=CNC(=O)N=C1N
InChi:	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
Synonyms:	4-amino-5-fluoropyrimidin-2(1H)-one
Definition date:	2013-03-18
Last modified:	2021-03-01
Release date:	2014-03-19
Identifier:	4-amino-5-fluoropyrimidin-2(1H)-one

WZC

WZC
Name:	(13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE
Formula:	C19 H27 N O5 S
SMILES:	O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N
InChi:	InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1
Synonyms:	2-METHOXYESTRADIOL 17-O-SULFAMATE
Definition date:	2009-11-23
Last modified:	2021-03-01
Identifier:	(13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate

1LP

1LP
Name:	TRANYLCYPROMINE
Formula:	C9 H10 O
SMILES:	O=CC(c1ccccc1)C
InChi:	InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1
Synonyms:	(2S)-2-PHENYLPROPANAL
Definition date:	2003-07-08
Last modified:	2021-03-01
Identifier:	(2S)-2-phenylpropanal

GPI

GPI
Name:	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
Formula:	C20 H28 N2 O4
SMILES:	O=C(OCCCc1cccnc1)C2N(C(=O)C(=O)C(C)(C)CC)CCC2
InChi:	InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
Synonyms:	GPI-1046
Definition date:	2000-06-16
Last modified:	2021-03-01
Identifier:	3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinate

1MM

1MM
Name:	METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
Formula:	C14 H15 N5 O6 S
SMILES:	O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
InChi:	InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
Synonyms:	METSULFURON METHYL
Definition date:	2004-07-01
Last modified:	2021-03-01
Identifier:	methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate

1N1

1N1
Name:	N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
Formula:	C22 H26 Cl N7 O2 S
SMILES:	Clc1cccc(c1NC(=O)c2sc(nc2)Nc4nc(nc(N3CCN(CCO)CC3)c4)C)C
InChi:	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
Synonyms:	Dasatinib
Definition date:	2006-04-24
Last modified:	2021-03-01
Identifier:	N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide

1N8

1N8
Name:	N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE
Formula:	C30 H31 F3 N6 O2
SMILES:	FC(F)(F)c1cc(c(NC(=O)CN(CC)CC)cc1)NC(=O)c4cc(c3cc2c(nc(nc2)NC)cc3)c(cc4)C
InChi:	InChI=1S/C30H31F3N6O2/c1-5-39(6-2)17-27(40)36-25-12-10-22(30(31,32)33)15-26(25)37-28(41)20-8-7-18(3)23(14-20)19-9-11-24-21(13-19)16-35-29(34-4)38-24/h7-16H,5-6,17H2,1-4H3,(H,36,40)(H,37,41)(H,34,35,38)
Synonyms:	AMINOQUINAZOLINE 36
Definition date:	2007-01-10
Last modified:	2021-03-01
Identifier:	N-{2-[(N,N-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide

X1E

X1E
Name:	(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Formula:	C8 H12 N2 O3 S
SMILES:	O=C(O)C1N2C(=O)C(N)C2SC1(C)C
InChi:	InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
Synonyms:	6-AMINOPENICILLANIC ACID
Definition date:	2009-12-23
Last modified:	2021-03-01
Identifier:	(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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