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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
MM5
MM5
Name:1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE]NI(II)
Formula:C28 H48 N8 Ni2
SMILES:C1CN(CCN2CCCN3CCN(C1)[Ni]23)Cc4ccc(CN5CCCN6CCN7CCCN(CC5)[Ni]67)cc4
InChi:InChI=1S/C28H48N8.2Ni/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:NICKEL(II)XYLYLBICYCLAM
Definition date:2006-06-19
Last modified:2023-09-23
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
202
202
Name:BROMIC ACID
Formula:Br H O3
SMILES:O=Br(=O)O
InChi:InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)
Definition date:2005-11-21
Last modified:2023-09-23
Identifier:bromic acid
MP1
MP1
Name:N-METHYLMESOPORPHYRIN CONTAINING COPPER
Formula:C35 H39 Cu N4 O4
SMILES:CCC1=C(C)C2=Cc3n(C)c(C=C4N=C(C=C5[N]([Cu])C(=CC1=N2)C(=C5CCC(O)=O)C)C(=C4C)CCC(O)=O)c(C)c3CC
InChi:InChI=1S/C35H40N4O4.Cu/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28
Definition date:1999-09-07
Last modified:2023-09-23
MVO
MVO
Name:2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:C20 H27 Cl2 N3 O3
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
InChi:InChI=1S/C20H27Cl2N3O3/c21-13-18(26)23-14-15-5-9-25(10-6-15)19(27)20(7-11-28-12-8-20)24-17-3-1-16(22)2-4-17/h1-4,15,24H,5-14H2,(H,23,26)
Definition date:2022-08-04
Last modified:2023-09-23
Release date:2023-09-20
Identifier:2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
MW6
MW6
Name:(3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione
Formula:C12 H14 N2 O2 S
SMILES:Nc1cccc(SC[CH]2CCC(=O)NC2=O)c1
InChi:InChI=1S/C12H14N2O2S/c13-9-2-1-3-10(6-9)17-7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7,13H2,(H,14,15,16)/t8-/m1/s1
Definition date:2022-08-04
Last modified:2023-09-23
Release date:2023-01-11
Identifier:(3~{S})-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione
MXI
MXI
Name:4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE
Formula:C23 H24 N4 O
SMILES:COc1ccc2cc(ccc2c1)c3nc([nH]c3c4ccnc(N)c4)C(C)(C)C
InChi:InChI=1S/C23H24N4O/c1-23(2,3)22-26-20(21(27-22)17-9-10-25-19(24)13-17)16-6-5-15-12-18(28-4)8-7-14(15)11-16/h5-13H,1-4H3,(H2,24,25)(H,26,27)
Definition date:2011-08-16
Last modified:2023-09-23
Identifier:4-[2-~{tert}-butyl-4-(6-methoxynaphthalen-2-yl)-1~{H}-imidazol-5-yl]pyridin-2-amine
MXU
MXU
Name:~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:C24 H35 N5 O7
SMILES:CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O
InChi:InChI=1S/C24H35N5O7/c1-24(2,3)36-23(35)28-15-5-4-10-29(22(15)34)17(11-13-6-7-13)21(33)27-16(18(30)19(25)31)12-14-8-9-26-20(14)32/h4-5,10,13-14,16-18,30H,6-9,11-12H2,1-3H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,35)/t14-,16-,17-,18+/m0/s1
Definition date:2022-08-09
Last modified:2023-09-23
Release date:2023-08-16
Identifier:~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
MYA
MYA
Name:TETRADECANOYL-COA
Formula:C35 H62 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC
InChi:InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1
Synonyms:MYRISTOYL-COA
Definition date:2001-04-23
Last modified:2023-09-23
Identifier:S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name)
MYO
MYO
Name:4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid
Formula:C5 H5 N3 O4
SMILES:Nc1c([nH]nc1C(O)=O)C(O)=O
InChi:InChI=1S/C5H5N3O4/c6-1-2(4(9)10)7-8-3(1)5(11)12/h6H2,(H,7,8)(H,9,10)(H,11,12)
Definition date:2022-08-09
Last modified:2023-09-23
Release date:2022-09-07
Identifier:4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid
MZU
MZU
Name:4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid
Formula:C9 H14 N3 O9 P
SMILES:Nc1c([nH]nc1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(O)=O
InChi:InChI=1S/C9H14N3O9P/c10-3-4(11-12-5(3)9(15)16)8-7(14)6(13)2(21-8)1-20-22(17,18)19/h2,6-8,13-14H,1,10H2,(H,11,12)(H,15,16)(H2,17,18,19)/t2-,6-,7-,8+/m1/s1
Definition date:2022-08-09
Last modified:2023-09-23
Release date:2022-09-07
Identifier:4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid
N0C
N0C
Name:~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
Formula:C22 H34 N8 O2
SMILES:C[N+](C)(C)CC(=O)NNCc1cc(C=NNC(=O)C[N+](C)(C)C)nc(n1)c2ccccc2
InChi:InChI=1S/C22H32N8O2/c1-29(2,3)15-20(31)27-23-13-18-12-19(14-24-28-21(32)16-30(4,5)6)26-22(25-18)17-10-8-7-9-11-17/h7-13H,14-16H2,1-6H3,(H-2,23,24,25,26,27,28,31,32)/p+2
Definition date:2022-08-09
Last modified:2023-09-23
Release date:2023-06-14
Identifier:trimethyl-[2-oxidanylidene-2-[2-[[2-phenyl-6-[(~{E})-[2-(trimethylazaniumyl)ethanoylhydrazinylidene]methyl]pyrimidin-4-yl]methyl]hydrazinyl]ethyl]azanium
N0L
N0L
Name:2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide
Formula:C22 H31 Cl2 N3 O3
SMILES:ClCC(=O)NCCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
InChi:InChI=1S/C22H31Cl2N3O3/c23-16-20(28)25-11-1-2-17-7-12-27(13-8-17)21(29)22(9-14-30-15-10-22)26-19-5-3-18(24)4-6-19/h3-6,17,26H,1-2,7-16H2,(H,25,28)
Definition date:2022-08-10
Last modified:2023-09-23
Release date:2023-09-20
Identifier:2-chloranyl-~{N}-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide
N1R
N1R
Name:2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
Formula:C20 H28 Cl2 N2 O3
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCCNC(=O)CCl)CC2
InChi:InChI=1S/C20H28Cl2N2O3/c1-20(2,27-17-7-5-16(22)6-8-17)19(26)24-12-9-15(10-13-24)4-3-11-23-18(25)14-21/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,25)
Definition date:2022-08-11
Last modified:2023-09-23
Release date:2023-09-20
Identifier:2-chloranyl-~{N}-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
N29
N29
Name:~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide
Formula:C7 H10 N2 O2
SMILES:CCC(=O)Nc1cc(C)on1
InChi:InChI=1S/C7H10N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h4H,3H2,1-2H3,(H,8,9,10)
Definition date:2022-08-11
Last modified:2023-09-23
Release date:2022-09-28
Identifier:~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide
N2U
N2U
Name:O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate
Formula:C24 H30 N2 O6
SMILES:CCOC(=O)C1=CC[C](N[CH]1C(=O)OC(C)(C)C)(C(=O)OC)c2cc3ccccc3n2C
InChi:InChI=1S/C24H30N2O6/c1-7-31-20(27)16-12-13-24(22(29)30-6,25-19(16)21(28)32-23(2,3)4)18-14-15-10-8-9-11-17(15)26(18)5/h8-12,14,19,25H,7,13H2,1-6H3/t19-,24+/m0/s1
Definition date:2022-08-11
Last modified:2023-09-23
Release date:2022-08-24
Identifier:~{O}2-~{tert}-butyl ~{O}3-ethyl ~{O}6-methyl (2~{S},6~{R})-6-(1-methylindol-2-yl)-2,5-dihydro-1~{H}-pyridine-2,3,6-tricarboxylate
N39
N39
Name:O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate
Formula:C31 H36 N2 O8 S
SMILES:CCOC(=O)C1=CC[C](N([CH]1C(=O)OC(C)(C)C)[S](=O)(=O)c2ccc(C)cc2)(C(=O)OC)c3cc4ccccc4n3C
InChi:InChI=1S/C31H36N2O8S/c1-8-40-27(34)23-17-18-31(29(36)39-7,25-19-21-11-9-10-12-24(21)32(25)6)33(26(23)28(35)41-30(3,4)5)42(37,38)22-15-13-20(2)14-16-22/h9-17,19,26H,8,18H2,1-7H3/t26-,31+/m0/s1
Synonyms:3-formyl rifamycin SV
Definition date:2022-08-11
Last modified:2023-09-23
Release date:2022-08-24
Identifier:~{O}2-~{tert}-butyl ~{O}3-ethyl ~{O}6-methyl (2~{S},6~{R})-6-(1-methylindol-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyridine-2,3,6-tricarboxylate
N3O
N3O
Name:~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide
Formula:C10 H11 N3 O2
SMILES:CCC(=O)Nc1cnc2onc(C)c2c1
InChi:InChI=1S/C10H11N3O2/c1-3-9(14)12-7-4-8-6(2)13-15-10(8)11-5-7/h4-5H,3H2,1-2H3,(H,12,14)
Definition date:2022-08-11
Last modified:2023-09-23
Release date:2022-09-28
Identifier:~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide

224931

PDB entries from 2024-09-11

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