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AC9

AC9
Name:	TRISACETYLACETONATOCHROMIUM(III)
Formula:	C15 H21 Cr O6
SMILES:	CC(=O)C=C(C)O[Cr](OC(=CC(=O)C)C)OC(=CC(=O)C)C
InChi:	InChI=1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7
Definition date:	2005-07-06
Last modified:	2023-09-23
Identifier:	2,4,8,10,13,15-hexamethyl-1,5$l^{3},7,11$l^{3},12,16$l^{3}-hexaoxa-6$l^{6}-chromaspiro[5.5^{6}.5^{6}]hexadeca-2,4,8,10,13,15-hexaene

1FH

1FH
Name:	12-PHENYLHEME
Formula:	C40 H38 Fe N4 O4
SMILES:	C[CH]1[CH](C=C)C2=Cc3n4[Fe++][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C(=C(C=C)C5=C(c7ccccc7)C1=N2)C
InChi:	InChI=1S/C40H40N4O4.Fe/c1-7-26-24(6)39-38(25-12-10-9-11-13-25)40-27(8-2)21(3)32(43-40)18-30-22(4)28(14-16-36(45)46)34(41-30)20-35-29(15-17-37(47)48)23(5)31(42-35)19-33(26)44-39
Definition date:	2004-05-06
Last modified:	2023-09-23

CLN

CLN
Name:	SULFUR SUBSTITUTED PROTOPORPHYRIN IX
Formula:	C34 H32 Fe N4 O4 S
SMILES:	CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)[CH]7C=CS[C]67C)C
InChi:	InChI=1S/C34H34N4O4S.Fe/c1-6-20-17(2)24-13-25-18(3)21(7-9-32(39)40)27(35-25)15-28-22(8-10-33(41)42)19(4)26(36-28)14-30-23-11-12-43-34(23,5)31(38-30)16-29(20)37-24
Definition date:	1999-07-08
Last modified:	2023-09-23

CLP

CLP
Name:	FE-S CLUSTER
Formula:	Fe8 S8
SMILES:	S1[Fe]S[Fe]2S[Fe][S]2([Fe]1)[S]34[Fe]S[Fe]S[Fe]3S[Fe]4
InChi:	InChI=1S/8Fe.S2.6S/c
Definition date:	1999-07-08
Last modified:	2023-09-23

CN1

CN1
Name:	OXO-IRON CLUSTER 2
Formula:	Fe3 H9 O12
SMILES:	O[Fe](O)O.O[Fe](O)(O)(O)O[Fe]1(O)(O)OO1
InChi:	InChI=1S/3Fe.O2.9H2O.O/c
Definition date:	2003-10-16
Last modified:	2023-09-23
Identifier:	[(1~{R})-3,3-bis(oxidanyl)-1-[tris(oxidanyl)ferrio]-1$l^{3},2-dioxa-3$l^{5}-ferracycloprop-3-yl]oxy-tetrakis(oxidanyl)iron

COH

COH
Name:	PROTOPORPHYRIN IX CONTAINING CO
Formula:	C34 H32 Co N4 O4
SMILES:	CC1=C(CCC(O)=O)C2=Cc3n4[Co][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
InChi:	InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	1999-07-08
Last modified:	2023-09-23

COY

COY
Name:	CO-(ADENIN-9-YL-PENTYL)-COBALAMIN
Formula:	C72 H106 Co N18 O14 P
SMILES:	C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-][CH]1C(=C3[CH](CCC(N)=O)C(C)(C)[CH]4C=C5[CH](CCC(N)=O)[C](C)(CC(N)=O)[CH]6[N]5[Co++](CCCCCn7cnc8c(N)ncnc78)([N]34)[N]9C(=C6C)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%10[CH](O)[CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11%12
InChi:	InChI=1S/C62H92N13O14P.C10H14N5.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56
Definition date:	2000-02-16
Last modified:	2023-09-23

CUP

CUP
Name:	(N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II)
Formula:	C16 H13 Cu N O3
SMILES:	O=C1O[Cu]Oc2ccccc2C=N[CH]1Cc3ccccc3
InChi:	InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12
Definition date:	2007-02-13
Last modified:	2023-09-23
Identifier:	(6~{S})-6-(phenylmethyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one

CUS

CUS
Name:	(N-SALICYLIDEN-L-LEUCINATO)-COPPER(II)
Formula:	C13 H15 Cu N O3
SMILES:	CC(C)C[CH]1N=Cc2ccccc2O[Cu]OC1=O
InChi:	InChI=1S/C13H17NO3.Cu/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15
Definition date:	2007-02-15
Last modified:	2023-09-23
Identifier:	(6~{S})-6-(2-methylpropyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one

E52

E52
Name:	Methylated Ruthenium Pyridocarbazole
Formula:	C29 H23 F N4 O7 Ru
SMILES:	CN1C(=O)c2c3cc(F)cnc3c4n([Ru]C5(C=CC=C5)C(=O)NC(C)(CO)CO)c6ccc(O)cc6c4c2C1=O.[C-]#[O+]
InChi:	InChI=1S/C18H10FN3O3.C10H14NO3.CO.Ru/c1-22-17(24)13-10-4-7(19)6-20-15(10)16-12(14(13)18(22)25)9-5-8(23)2-3-11(9)21-16
Definition date:	2008-04-22
Last modified:	2023-09-23

34B

34B
Name:	2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE
Formula:	C8 H20 B10 N4
SMILES:	n1c(c(c(nc1N)N)CC%17%18%19%20B7%169B26%14B345B2%15%12B3%13%10B4%118B567C89%20B%10%11%19B%12%13%18B%14%15%16%17)C
InChi:	InChI=1S/C8H20B10N4/c1-3-4(5(19)22-6(20)21-3)2-8-7-9(8)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h7,9-18H,2H2,1H3,(H4,19,20,21,22)
Definition date:	2005-09-29
Last modified:	2023-09-23

ICA

ICA
Name:	ISOCITRATE CALCIUM COMPLEX
Formula:	C6 H7 Ca O7
SMILES:	OC(=O)C[CH]([CH](O[Ca])C(O)=O)C(O)=O
InChi:	InChI=1S/C6H7O7.Ca.H/c7-3(8)1-2(5(10)11)4(9)6(12)13
Definition date:	1999-07-08
Last modified:	2023-09-23
Identifier:	[(2~{R},3~{S})-3-carboxy-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]oxycalcium

14Y

14Y
Name:	METHYL(E)-OCTADEC-9-ENOATE
Formula:	C19 H36 O2
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)OC
InChi:	InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
Definition date:	2011-05-31
Last modified:	2023-09-23
Identifier:	methyl (~{E})-octadec-9-enoate

188

188
Name:	PYOCHELIN FE(III)
Formula:	C14 H14 Fe N2 O3 S2
SMILES:	CN1[CH]2CS[CH]1[CH]3CSC(=N3)c4ccccc4O[Fe]OC2=O
InChi:	InChI=1S/C14H16N2O3S2.Fe/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17
Definition date:	2004-10-13
Last modified:	2023-09-23

M9X

M9X
Name:	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C27 H39 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NC4CC4)C1=O
InChi:	InChI=1S/C27H39N5O7/c1-27(2,3)39-26(38)31-18-5-4-12-32(25(18)37)20(13-15-6-7-15)23(35)30-19(14-16-10-11-28-22(16)34)21(33)24(36)29-17-8-9-17/h4-5,12,15-17,19-21,33H,6-11,13-14H2,1-3H3,(H,28,34)(H,29,36)(H,30,35)(H,31,38)/t16-,19-,20-,21+/m0/s1
Synonyms:	tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2023-08-16
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

MAP

MAP
Name:	MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE
Formula:	C10 H16 Mg N6 O12 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C10H17N6O12P3.Mg.H/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21
Definition date:	1999-07-08
Last modified:	2023-09-23
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[oxidanyl-(phosphonoamino)phosphoryl]oxy-phosphoryl]oxymagnesium

MDI

MDI
Name:	3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide
Formula:	C27 H26 F2 N4 O
SMILES:	CN([CH]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F
InChi:	InChI=1S/C27H26F2N4O/c1-15-9-11-19(17-10-12-18-16(2)31-32-22(18)14-17)20-6-4-8-23(24(15)20)33(3)27(34)25-21(26(28)29)7-5-13-30-25/h5,7,9-14,23,26H,4,6,8H2,1-3H3,(H,31,32)/t23-/m1/s1
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2022-08-31
Identifier:	3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide

ME3

ME3
Name:	RUTHENIUM-PYRIDOCARBAZOLE-3
Formula:	C26 H18 N3 O6 Ru
SMILES:	CCOC(=O)C1CCCC1.Oc2ccc3n([Ru])c4c5ncccc5c6C(=O)NC(=O)c6c4c3c2.C#[O]
InChi:	InChI=1S/C17H9N3O3.C8H9O2.CHO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10
Definition date:	2005-08-18
Last modified:	2023-09-23

MFL

MFL
Name:	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C25 H37 N5 O7
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)OC(C)(C)C)C3=O
InChi:	InChI=1S/C25H37N5O7/c1-25(2,3)37-24(36)29-16-6-5-11-30(23(16)35)18(12-14-7-8-14)21(33)28-17(19(31)22(34)26-4)13-15-9-10-27-20(15)32/h5-6,11,14-15,17-19,31H,7-10,12-13H2,1-4H3,(H,26,34)(H,27,32)(H,28,33)(H,29,36)/t15-,17-,18-,19+/m0/s1
Synonyms:	tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(methylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2023-08-16
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

MIJ

MIJ
Name:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide
Formula:	C28 H35 N5 O6
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Cc4ccccc4)C3=O
InChi:	InChI=1S/C28H35N5O6/c1-29-27(38)24(35)21(16-19-11-12-30-25(19)36)32-26(37)22(14-18-9-10-18)33-13-5-8-20(28(33)39)31-23(34)15-17-6-3-2-4-7-17/h2-8,13,18-19,21-22,24,35H,9-12,14-16H2,1H3,(H,29,38)(H,30,36)(H,31,34)(H,32,37)/t19-,21-,22-,24+/m0/s1
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2023-08-16
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

MJ0

MJ0
Name:	(2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide
Formula:	C29 H37 N5 O6
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)CCc4ccccc4)C3=O
InChi:	InChI=1S/C29H37N5O6/c1-30-28(39)25(36)22(17-20-13-14-31-26(20)37)33-27(38)23(16-19-9-10-19)34-15-5-8-21(29(34)40)32-24(35)12-11-18-6-3-2-4-7-18/h2-8,15,19-20,22-23,25,36H,9-14,16-17H2,1H3,(H,30,39)(H,31,37)(H,32,35)(H,33,38)/t20-,22-,23-,25+/m0/s1
Synonyms:	(S)-3-((S)-3-cyclopropyl-2-(2-oxo-3-(3-phenylpropanamido)pyridin-1(2H)-yl)propanamido)-N-methyl-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2023-08-16
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

MJO

MJO
Name:	N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide
Formula:	C19 H21 N O5
SMILES:	C[CH]1O[CH](NC(=O)c2cccc(c2)c3ccccc3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C19H21NO5/c1-11-15(21)16(22)17(23)19(25-11)20-18(24)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17,19,21-23H,1H3,(H,20,24)/t11-,15+,16+,17-,19-/m0/s1
Synonyms:	~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2022-11-02
Identifier:	~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide

MKF

MKF
Name:	(2~{S})-2-azanyl-3-(dimethylcarbamoyloxy)propanoic acid
Formula:	C6 H12 N2 O4
SMILES:	CN(C)C(=O)OC[CH](N)C(O)=O
InChi:	InChI=1S/C6H12N2O4/c1-8(2)6(11)12-3-4(7)5(9)10/h4H,3,7H2,1-2H3,(H,9,10)/t4-/m0/s1
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2023-02-01
Identifier:	(2~{S})-2-azanyl-3-(dimethylcarbamoyloxy)propanoic acid

MKO

MKO
Name:	8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]
Formula:	C12 H10 O8 V
SMILES:	Cc1[o+]ccc2O[V]3([O-])([O-])(Oc4cc[o+]c(C)c4O3)Oc12
InChi:	InChI=1S/2C6H6O3.2O.V/c2*1-4-6(8)5(7)2-3-9-4
Definition date:	2022-07-27
Last modified:	2023-09-23
Release date:	2022-11-23
Identifier:	2,2'-dimethyl-8,8-bis(oxidanidyl)-8,8'-spirobi[7,9-dioxa-3-oxonia-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]

MM2

MM2
Name:	1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2
Formula:	C28 H54 Cu2 N8
SMILES:	[Cu].[Cu].C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2
InChi:	InChI=1S/C28H54N8.2Cu/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36
Synonyms:	CU-BICYCLAM
Definition date:	2005-01-24
Last modified:	2023-09-23

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