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REP
REP
Name:(1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
Formula:C15 H8 N2 O3 Re
SMILES:[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc3cccnc23
InChi:InChI=1S/C12H8N2.3CO.Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1
Definition date:2001-10-03
Last modified:2023-09-23
RHX
RHX
Name:[2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III)
Formula:C24 H19 N2 O2 Rh
SMILES:[Rh]c1c(cccc1C2=N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5
InChi:InChI=1S/C24H19N2O2.Rh/c1-3-8-17(9-4-1)21-15-27-23(25-21)19-12-7-13-20(14-19)24-26-22(16-28-24)18-10-5-2-6-11-18
Synonyms:[2,6-BIS(4-PHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL-KAPPAN)PHENYL-KAPPAC~1~]RHODIUM(3+)
Definition date:2007-02-23
Last modified:2023-09-23
JLN
JLN
Name:5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Formula:C10 H14 N3 O10 P
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc(C(O)=O)c2NC=O
InChi:InChI=1S/C10H14N3O10P/c14-3-12-8-5(10(17)18)11-2-13(8)9-7(16)6(15)4(23-9)1-22-24(19,20)21/h2-4,6-7,9,15-16H,1H2,(H,12,14)(H,17,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1
Definition date:2011-09-02
Last modified:2023-09-23
Identifier:1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-formamido-imidazole-4-carboxylic acid
A06
A06
Name:(3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid
Formula:C17 H14 Cl2 N2 O2
SMILES:OC(=O)CC(Cc1[nH]c2ccc(Cl)cc2n1)c3ccc(Cl)cc3
InChi:InChI=1S/C17H14Cl2N2O2/c18-12-3-1-10(2-4-12)11(8-17(22)23)7-16-20-14-6-5-13(19)9-15(14)21-16/h1-6,9,11H,7-8H2,(H,20,21)(H,22,23)
Definition date:2011-09-08
Last modified:2023-09-23
Identifier:(3~{R})-4-(5-chloranyl-1~{H}-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid
A71
A71
Name:(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEX
Formula:C6 H25 N5 Pt
SMILES:N.N.N.[Pt].NCCCCCCN
InChi:InChI=1S/C6H16N2.3H3N.Pt/c7-5-3-1-2-4-6-8
Definition date:2006-10-10
Last modified:2023-09-23
Identifier:(6-azanylhexyl-$l^{4}-azanyl)-tris($l^{4}-azanyl)platinum
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
MNW
MNW
Name:8,8,8,8-tetrakis($l^{1}-oxidanyl)-2-methyl-3,7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1,5-diene
Formula:C6 H9 O7 V
SMILES:Cc1[o+]ccc2O[V](O)(O)(O)(O)Oc12
InChi:InChI=1S/C6H6O3.4H2O.V/c1-4-6(8)5(7)2-3-9-4
Definition date:2022-07-27
Last modified:2023-09-23
Release date:2022-11-23
Identifier:2-methyl-8,8,8,8-tetrakis(oxidanyl)-7,9-dioxa-3-oxonia-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene
RTB
RTB
Name:(2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II)
Formula:C27 H19 N5 Ru
SMILES:[Ru++].c1ccc(nc1)c2cccc(n2)c3ccccn3.c4cnc5c(c4)ccc6cccnc56
InChi:InChI=1S/C15H11N3.C12H8N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13
Definition date:2001-10-03
Last modified:2023-09-23
RUC
RUC
Name:(eta6-benzene)ruthenium
Formula:C6 H6 Ru
SMILES:[Ru].C1=CC=CC=C1
InChi:InChI=1S/C6H6.Ru/c1-2-4-6-5-3-1
Definition date:2008-06-09
Last modified:2023-09-23
ALB
ALB
Name:DELTA-2-ALBOMYCIN A1
Formula:C37 H57 Fe N12 O18 S
SMILES:CN1C(=O)N(C=CC1=NC(N)=O)[CH]2S[CH]([CH](O)[CH]2O)[CH](O)[CH](NC(=O)[CH](CO)NC(=O)[CH]3CCC[N](O[Fe]4O[N](CCC[CH](N)C(=O)N[CH](CCC[N](O4)C(=O)C)C(=O)N3)C(=O)C)C(=O)C)C(O)=O
InChi:InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64
Definition date:1999-07-20
Last modified:2023-09-23
B17
B17
Name:{1-[4-(AMINOSULFONYL)PHENYL]-11-[(CARBOXY-KAPPAO)METHYL]-1-OXO-5,8-DIOXA-2,11-DIAZATRIDECAN-13-OATO(2-)-KAPPAO~13~}COPPER
Formula:C17 H23 Cu N3 O9 S
SMILES:O=C1O[Cu]OC(=O)CN(C1)CCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N
InChi:InChI=1S/C17H25N3O9S.Cu/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24
Definition date:2006-03-27
Last modified:2023-09-23
Identifier:{11-[(carboxy-kappaO)methyl]-1-oxo-1-(4-sulfamoylphenyl)-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappaO~13~}copper
BAZ
BAZ
Name:BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC
Formula:C17 H16 N8 Zn
SMILES:[Zn++].NC(=N)c1ccc2nc(Cc3[nH]c4cc(ccc4n3)C(N)=N)[nH]c2c1
InChi:InChI=1S/C17H16N8.Zn/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15
Definition date:1999-07-08
Last modified:2023-09-23
Identifier:[5-carbamimidoyl-2-[(6-carbamimidoyl-1H-benzoimidazol-2-yl)methyl]-3H-benzoimidazol-1-yl]zinc
BOZ
BOZ
Name:BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC
Formula:C17 H18 N8 O Zn
SMILES:[Zn++].NC(N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)N
InChi:InChI=1S/C17H18N8O.Zn/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17
Definition date:1999-07-08
Last modified:2023-09-23
Identifier:[5-(diaminomethyl)-2-[[6-(diaminomethyl)-1H-benzoimidazol-2-yl]carbonyl]-3H-benzoimidazol-1-yl]zinc
BPT
BPT
Name:BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX
Formula:C4 H24 Cl2 N6 Pt2
SMILES:N.N.N.N.NCCCCN.Cl[Pt].Cl[Pt]
InChi:InChI=1S/C4H12N2.2ClH.4H3N.2Pt/c5-3-1-2-4-6
Synonyms:1,1/T,T
Definition date:1999-07-08
Last modified:2023-09-23
Identifier:chloranyl-[4-[(chloranyl-bis($l^{4}-azanyl)platinio)-$l^{4}-azanyl]butyl-$l^{4}-azanyl]-bis($l^{4}-azanyl)platinum
BVA
BVA
Name:TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE
Formula:C7 H9 N O5 V
SMILES:O[V](O)(O)ONC(=O)c1ccccc1
InChi:InChI=1S/C7H6NO2.3H2O.V/c9-7(8-10)6-4-2-1-3-5-6
Definition date:2007-04-19
Last modified:2023-09-23
Identifier:2,2,2-tris(oxidanyl)-5-phenyl-1$l^{3},3-dioxa-4-aza-2$l^{5}-vanadacyclopent-5-ene
C7P
C7P
Name:cis-diammine(pyridine)chloroplatinum(II)
Formula:C5 H11 Cl N3 Pt
SMILES:N.N.Cl[Pt++].c1ccncc1
InChi:InChI=1S/C5H5N.ClH.2H3N.Pt/c1-2-4-6-5-3-1
Definition date:2008-04-03
Last modified:2023-09-23
Identifier:chloranyl-bis($l^{4}-azanyl)-pyridin-1-yl-platinum(2+)
Q3Z
Q3Z
Name:Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)
Formula:C20 H17 N5 O4 Pt
SMILES:N.N.[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35
InChi:InChI=1S/C20H11N3O4.2H3N.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10
Definition date:2023-03-23
Last modified:2023-09-23
Release date:2023-06-28
HJ6
HJ6
Name:3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid
Formula:C29 H29 N7 O9 S2
SMILES:CNC(=O)c1ccc2n(CC3CN(C3)[S](=O)(=O)c4cccc(c4)[S](O)(=O)=O)c(nc2c1)c5oc(Cn6nc(C)c(c6C)[N+]([O-])=O)cc5
InChi:InChI=1S/C29H29N7O9S2/c1-17-27(36(38)39)18(2)35(32-17)16-21-8-10-26(45-21)28-31-24-11-20(29(37)30-3)7-9-25(24)34(28)15-19-13-33(14-19)46(40,41)22-5-4-6-23(12-22)47(42,43)44/h4-12,19H,13-16H2,1-3H3,(H,30,37)(H,42,43,44)
Definition date:2022-05-26
Last modified:2023-09-22
Release date:2023-09-27
Identifier:3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid
V3O
V3O
Name:N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
Formula:C15 H13 Cl N4 O S2
SMILES:CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1
InChi:InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21)
Definition date:2023-09-07
Last modified:2023-09-22
Release date:2023-09-27
Identifier:N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
ZLL
ZLL
Name:4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
Formula:C19 H20 Br F2 N3 O
SMILES:Fc1cc(F)cc(CN2CCN(CC2)C(=O)NCc3ccc(Br)cc3)c1
InChi:InChI=1S/C19H20BrF2N3O/c20-16-3-1-14(2-4-16)12-23-19(26)25-7-5-24(6-8-25)13-15-9-17(21)11-18(22)10-15/h1-4,9-11H,5-8,12-13H2,(H,23,26)
Definition date:2022-12-02
Last modified:2023-09-22
Release date:2023-09-27
Identifier:4-[[3,5-bis(fluoranyl)phenyl]methyl]-~{N}-[(4-bromophenyl)methyl]piperazine-1-carboxamide
YYD
YYD
Name:6-amino-6-deoxy-alpha-D-glucopyranose
Formula:C6 H13 N O5
SMILES:OC1C(O)C(OC(O)C1O)CN
InChi:InChI=1S/C6H13NO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1
Definition date:2012-12-17
Last modified:2023-09-22
Release date:2023-09-27
Identifier:6-amino-6-deoxy-alpha-D-glucopyranose
VFO
VFO
Name:(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:C29 H36 F2 N4 O4 S
SMILES:Cc1ncsc1c2cc3CCC[CH](NC(=O)[CH]4C[CH](O)CN4C(=O)[CH](NC(=O)C5(F)CC5)C(C)(C)C)c3cc2F
InChi:InChI=1S/C29H36F2N4O4S/c1-15-23(40-14-32-15)19-10-16-6-5-7-21(18(16)12-20(19)30)33-25(37)22-11-17(36)13-35(22)26(38)24(28(2,3)4)34-27(39)29(31)8-9-29/h10,12,14,17,21-22,24,36H,5-9,11,13H2,1-4H3,(H,33,37)(H,34,39)/t17-,21+,22+,24-/m1/s1
Definition date:2023-03-06
Last modified:2023-09-22
Release date:2023-09-27
Identifier:(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide

224201

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