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YY3

YY3
Name:	N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Formula:	C28 H33 N7 O2
SMILES:	CN(CCN(c1cc(c(cc1NC(C=C)=O)Nc2nc(ccn2)c3cn(c4c3cccc4)C)OC)C)C
InChi:	InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
Synonyms:	Osimertinib
Definition date:	2015-04-14
Last modified:	2021-03-13
Release date:	2015-11-11
Identifier:	N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide

HS1

HS1
Name:	2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide
Formula:	C12 H16 N2 O7 S
SMILES:	O=NC(=O)CN(S(=O)(=O)c1ccc(OC)cc1)CC(O)CO
InChi:	InChI=1S/C12H16N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16H,6-8H2,1H3/t9-/m0/s1
Synonyms:	(S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Definition date:	2008-11-04
Last modified:	2021-03-13
Identifier:	N~2~-[(2S)-2,3-dihydroxypropyl]-N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxoglycinamide

DDN

DDN
Name:	3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:	C9 H15 N2 O8 P
SMILES:	O=C1NC(O)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1
Synonyms:	((2R,3S,5R)-3-HYDROXY-5-(4-HYDROXY-2-OXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE
Definition date:	2004-12-14
Last modified:	2021-03-13
Identifier:	(4R)-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one

HTH

HTH
Name:	(2S,3R)-heptane-1,2,3-triol
Formula:	C7 H16 O3
SMILES:	CCCC[CH](O)[CH](O)CO
InChi:	InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7+/m1/s1
Synonyms:	heptane-1,2,3-triol
Definition date:	2010-02-18
Last modified:	2021-03-13
Identifier:	(2S,3R)-heptane-1,2,3-triol

HU1

HU1
Name:	TERT-BUTYL {(1S)-2-[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE
Formula:	C29 H46 N4 O6
SMILES:	O=C(N3C(C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)OC(C)(C)C)C4CCCCC4
InChi:	InChI=1S/C29H46N4O6/c1-28(2,3)39-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-18-20(29(18,4)5)22(33)25(36)31-19(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19-,20-,21-,22-/m0/s1
Synonyms:	Ketoamide Inhibitor SCH491762, bound form
Definition date:	2007-01-08
Last modified:	2021-03-13
Identifier:	tert-butyl {(1S)-2-[(1R,2S,5S)-2-{[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate

HU4

HU4
Name:	TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE
Formula:	C29 H46 N4 O7
SMILES:	O=C(N3C(C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2C(OC2C3)(C)C)C(NC(=O)OC(C)(C)C)C4CCCCC4
InChi:	InChI=1S/C29H46N4O7/c1-28(2,3)40-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-19-20(29(4,5)39-19)22(33)25(36)31-18(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19-,20-,21-,22-/m0/s1
Synonyms:	Ketoamide Inhibitor SCH571696, bound form
Definition date:	2007-01-09
Last modified:	2021-03-13
Identifier:	tert-butyl {(1S)-2-[(1R,2S,5R)-2-{[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl}-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate

HUD

HUD
Name:	tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Formula:	C26 H44 N4 O6
SMILES:	O=C(N3C(C(=O)NC(CC1CC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC(=O)OC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C26H44N4O6/c1-24(2,3)19(29-23(35)36-25(4,5)6)22(34)30-12-14-16(26(14,7)8)17(30)21(33)28-15(11-13-9-10-13)18(31)20(27)32/h13-19,31H,9-12H2,1-8H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15-,16-,17-,18+,19+/m0/s1
Synonyms:	ketoamide inhibitor SCH476776, bound form
Definition date:	2007-01-08
Last modified:	2021-03-13
Identifier:	tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate

NKN

NKN
Name:	(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate
Formula:	C17 H35 O7 P
SMILES:	O=P(OCC(O)COC(=O)CCCCCCCCCCCCC)(O)O
InChi:	InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1
Synonyms:	14:0 LPA
Definition date:	2010-11-05
Last modified:	2021-03-13
Identifier:	(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate

NKO

NKO
Name:	(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate
Formula:	C19 H39 O7 P
SMILES:	O=P(OCC(O)COC(=O)CCCCCCCCCCCCCCC)(O)O
InChi:	InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
Synonyms:	16:0 LPA
Definition date:	2010-11-05
Last modified:	2021-03-13
Identifier:	(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate

NKP

NKP
Name:	(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate
Formula:	C21 H41 O7 P
SMILES:	O=P(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)(O)O
InChi:	InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+/t20-/m1/s1
Synonyms:	18:1 LPA
Definition date:	2010-11-05
Last modified:	2021-03-13
Identifier:	(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate

NKR

NKR
Name:	(2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Formula:	C25 H39 O7 P
SMILES:	O=P(OCC(O)COC(=O)CCC=C/C/C=C/C/C=C/CC=C/CC=C/CC=C/CC)(O)O
InChi:	InChI=1S/C25H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,18-19,24,26H,2,5,8,11,14,17,20-23H2,1H3,(H2,28,29,30)/b4-3-,7-6-,10-9-,13-12+,16-15+,19-18-/t24-/m1/s1
Synonyms:	22:6 LPA
Definition date:	2010-11-05
Last modified:	2021-03-13
Identifier:	(2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

DH2

DH2
Name:	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
Formula:	C15 H12 O7
SMILES:	O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O
InChi:	InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1
Synonyms:	(2S,3S)-TRANS-DIHYDROQUERCETIN
Definition date:	2001-10-30
Last modified:	2021-03-13
Identifier:	(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one

NM8

NM8
Name:	6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide
Formula:	C33 H29 F3 N4 O4 S
SMILES:	O=C1C(SC(=O)N1)=Cc6oc(c5cc4cccc(C(=O)Nc2cc(cc(c2)CN3CCN(CC)CC3)C(F)(F)F)c4cc5)cc6
InChi:	InChI=1S/C33H29F3N4O4S/c1-2-39-10-12-40(13-11-39)19-20-14-23(33(34,35)36)17-24(15-20)37-30(41)27-5-3-4-21-16-22(6-8-26(21)27)28-9-7-25(44-28)18-29-31(42)38-32(43)45-29/h3-9,14-18H,2,10-13,19H2,1H3,(H,37,41)(H,38,42,43)/b29-18-
Synonyms:	(Z)-6-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-1-naphthamide
Definition date:	2011-01-25
Last modified:	2021-03-13
Identifier:	6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide

NPM

NPM
Name:	N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
Formula:	C25 H20 N4
SMILES:	N(/c1ccc(cc1)Cc3ccc(/N=C/c2ncccc2)cc3)=Cc4ncccc4
InChi:	InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2/b28-18+,29-19+
Synonyms:	1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE
Definition date:	2005-11-30
Last modified:	2021-03-13
Identifier:	4,4'-methanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}

NRA

NRA
Name:	norathyriol
Formula:	C13 H8 O6
SMILES:	O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3
InChi:	InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H
Synonyms:	1,3,6,7-tetrahydroxy-9H-xanthen-9-one
Definition date:	2011-06-13
Last modified:	2021-03-13
Identifier:	1,3,6,7-tetrahydroxy-9H-xanthen-9-one

1IR

1IR
Name:	N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
Formula:	C18 H17 N5 O S
SMILES:	n1c5ccccc5sc1NC4CC(n2c3ncccc3nc2OC)C4
InChi:	InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12+
Synonyms:	N-((1r,3r)-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl)benzo[d]thiazol-2-amine
Definition date:	2014-02-26
Last modified:	2021-03-13
Release date:	2014-10-01
Identifier:	N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine

NUB

NUB
Name:	1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one
Formula:	C20 H23 N3 O2
SMILES:	CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOCC4
InChi:	InChI=1S/C20H23N3O2/c1-14-11-16(13-22(2)20(14)24)19-21-17-5-3-4-6-18(17)23(19)12-15-7-9-25-10-8-15/h3-6,11,13,15H,7-10,12H2,1-2H3
Synonyms:	1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
Definition date:	2019-12-16
Last modified:	2021-03-13
Release date:	2020-01-15
Identifier:	1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one

NUH

NUH
Name:	5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
Formula:	C13 H13 N O2
SMILES:	COc1cccc(c1)C2=CN(C)C(=O)C=C2
InChi:	InChI=1S/C13H13NO2/c1-14-9-11(6-7-13(14)15)10-4-3-5-12(8-10)16-2/h3-9H,1-2H3
Synonyms:	5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Definition date:	2019-12-16
Last modified:	2021-03-13
Release date:	2020-01-15
Identifier:	5-(3-methoxyphenyl)-1-methyl-pyridin-2-one

DQH

DQH
Name:	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
Formula:	C15 H12 O7
SMILES:	O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O
InChi:	InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
Synonyms:	(2R,3R)-TRANS-DIHYDROQUERCETIN
Definition date:	2001-10-30
Last modified:	2021-03-13
Identifier:	(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one

NUW

NUW
Name:	2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide
Formula:	C25 H30 N4 O3
SMILES:	CNC(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1)c4cc(C)c(O)c(C)c4
InChi:	InChI=1S/C25H30N4O3/c1-15-11-20(12-16(2)23(15)31)24-27-21-13-19(25(32)26-4)5-6-22(21)29(24)14-18-7-9-28(10-8-18)17(3)30/h5-6,11-13,18,31H,7-10,14H2,1-4H3,(H,26,32)
Synonyms:	1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
Definition date:	2019-12-16
Last modified:	2021-03-13
Release date:	2020-01-15
Identifier:	2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide

DQS

DQS
Name:	5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:	C17 H20 N6 O
SMILES:	c3nn2C(=O)C(C(C)C)=C(c1cnn(c1)C(C)(C)C)Nc2c3C#N
InChi:	InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
Synonyms:	5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Definition date:	2017-11-01
Last modified:	2021-03-13
Release date:	2018-03-28
Identifier:	5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

DQU

DQU
Name:	2,6-DIAMINO-3H-QUINAZOLIN-4-ONE
Formula:	C8 H8 N4 O
SMILES:	n2c1c(cc(cc1)N)c(O)nc2N
InChi:	InChI=1S/C8H8N4O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,9H2,(H3,10,11,12,13)
Synonyms:	2,6-DIAMINOQUINAZOLIN-4(3H)-ONE
Definition date:	2003-08-07
Last modified:	2021-03-13
Identifier:	2,6-diaminoquinazolin-4-ol

19O

19O
Name:	Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate
Formula:	C44 H36 O6 P2
SMILES:	O=P(O)(O)Cc1c9c(c(c3c1C4c2cc6c(cc2C3C4)C7c5ccccc5C6C7)CP(=O)(O)O)C%10c8cc%12c(cc8C9C%10)C%13c%11ccccc%11C%12C%13
InChi:	InChI=1S/C44H36O6P2/c45-51(46,47)17-39-41-35-15-36(32-12-28-24-9-23(27(28)11-31(32)35)19-5-1-2-6-20(19)24)42(41)40(18-52(48,49)50)44-38-16-37(43(39)44)33-13-29-25-10-26(30(29)14-34(33)38)22-8-4-3-7-21(22)25/h1-8,11-14,23-26,35-38H,9-10,15-18H2,(H2,45,46,47)(H2,48,49,50)/t23-,24+,25+,26-,35-,36+,37+,38-
Synonyms:	[(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid)
Definition date:	2012-11-09
Last modified:	2021-03-13
Release date:	2013-02-22
Identifier:	[(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid) (non-preferred name)

DRW

DRW
Name:	(2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C15 H26 N4 O6 S2
SMILES:	CC(O)C(C=O)C2N=C(C(O)=O)C(SC1CNC(CNS(N)(=O)=O)C1)C2C
InChi:	InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,14,17-18,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-,14+/m1/s1
Synonyms:	Doripenem(open form, pyrroline tautomer form 2, SP3 connection to Thio as S isomer)
Definition date:	2009-08-24
Last modified:	2021-03-13
Identifier:	(2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid

NXC

NXC
Name:	(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)
Formula:	C23 H33 Cl N3 O5 P Pt
SMILES:	CCO[P](=O)(CCCc1cc2CN(C)(C)\|[Pt]3(Cl)\|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
InChi:	InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5
Synonyms:	ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
Definition date:	2008-09-12
Last modified:	2021-03-13

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