CAS RN: 12768-93-3
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 12768-95-5
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 3426-43-5
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 37229-09-7
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 39320-49-5
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 58615-68-2
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 66813-36-3
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 85154-00-3
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 2752-65-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H44O8
MOLECULAR WEIGHT: 628.75116
SMILES: CC(=CCC[C@@]1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=C[C@H]5C[C@H]6C4(O3)[C@](C5=O)(OC6(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)C)C
Structure:
CAS RN: 2601-92-5
CAS Name: (2S)-2-[[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C23H39NO5
MOLECULAR WEIGHT: 409.55946
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 177956-38-6
CAS Name: [(2R,3S,4E,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-(fluoromethylidene)-3-hydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4E,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-(fluoromethylene)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4E,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4E,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-(fluoranylmethylidene)-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H14FN3O10P2
MOLECULAR WEIGHT: 417.178185
SMILES: C1=CN(C(=O)N=C1N)[C@H]2/C(=C/F)/[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 173485-70-6
CAS Name: 8-hydroxy-2-methyl-1-[(E)-non-3-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f][1]benzopyran-5-one
OPENEYE Name: 8-hydroxy-2-methyl-1-[(E)-non-3-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
IUPAC Name: 8-hydroxy-2-methyl-1-[(E)-non-3-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
SYSTEMATIC NAME: 2-methyl-1-[(E)-non-3-enyl]-8-oxidanyl-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: CCCCC/C=C/CCC1=C(COC2C1C3CC(CC3=CC2=O)O)C
Structure:
CAS RN: 173655-56-6
CAS Name: 8-hydroxy-2-methyl-1-[(E)-non-3-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f][1]benzopyran-5-one
OPENEYE Name: 8-hydroxy-2-methyl-1-[(E)-non-3-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
IUPAC Name: 8-hydroxy-2-methyl-1-[(E)-non-3-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
SYSTEMATIC NAME: 2-methyl-1-[(E)-non-3-enyl]-8-oxidanyl-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: CCCCC/C=C/CCC1=C(COC2C1C3CC(CC3=CC2=O)O)C
Structure:
CAS RN: 165883-76-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C53H71BrN2O13
MOLECULAR WEIGHT: 1024.04044
SMILES: C[C@H]1[C@@H](OC2C/C=C\C3=NC(=CO3)[C@H]4C[C@@H](C[C@H](O4)C[C@H]5CC(=C)C[C@@H](O5)C/C=C/C(=O)OC1[C@@H]2C)O)/C(=C/C6=COC(=N6)C[C@@]7(C[C@@H](C[C@@H](O7)[C@@H](/C=C(\C)/C=C/[C@@H](C/C=C/Br)OC)O)OC)O)/C
Structure:
CAS RN: 157078-49-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H49NO5
MOLECULAR WEIGHT: 539.74586
SMILES: CCC1C(/C=C/C(=O)C(C2C(C3C/C(=C\C=C\C(C(O2)NC(=O)/C(=C/C(=C/C(C3O1)C)/C)/C)OC)/C)C)C)C
Structure:
CAS RN: 155645-50-4
CAS Name: (3E,7E)-2-hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyl-2-oxiranyl]hept-2-enyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-methyl-6-oxonona-3,7-dienoic acid
OPENEYE Name: (3E,7E)-2-hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyloxiran-2-yl]hept-2-enyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-6-oxo-nona-3,7-dienoic acid
IUPAC Name: (3E,7E)-2-hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyloxiran-2-yl]hept-2-enyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-6-oxonona-3,7-dienoic acid
SYSTEMATIC NAME: (3E,7E)-8-[[(2R)-3-(4-methoxyphenyl)-2-[[(E,5S,6S)-5-oxidanyl-6-[(2R,3R)-3-phenyloxiran-2-yl]hept-2-enyl]amino]propanoyl]amino]-4-methyl-2-oxidanyl-6-oxidanylidene-nona-3,7-dienoic acid
MOLECULAR FORMULA: C35H44N2O8
MOLECULAR WEIGHT: 620.73246
SMILES: C[C@H]([C@@H]1[C@H](O1)C2=CC=CC=C2)[C@H](C/C=C/CN[C@H](CC3=CC=C(C=C3)OC)C(=O)N/C(=C/C(=O)C/C(=C/C(C(=O)O)O)/C)/C)O
Structure:
CAS RN: 155156-22-2
CAS Name: (E)-2-butenedioic acid; (2R)-2-(4-chlorophenoxy)butanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: fumaric acid; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-2-(4-chlorophenoxy)butanoate
IUPAC Name: (E)-but-2-enedioic acid; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-2-(4-chlorophenoxy)butanoate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-2-(4-chloranylphenoxy)butanoate
MOLECULAR FORMULA: C22H28ClNO7
MOLECULAR WEIGHT: 453.91322
SMILES: CC[C@H](C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 145889-56-1
CAS Name: (E)-9-octadecenoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C45H76O3
MOLECULAR WEIGHT: 665.08314
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Structure:
CAS RN: 145458-92-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H27NO5
MOLECULAR WEIGHT: 361.43208
SMILES: CCC(C)C(=O)OC(/C=C\1/C=C(C2=NCCC3C12O3)C)C(C)OC(=O)C
Structure:
CAS RN: 145458-91-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H25NO5
MOLECULAR WEIGHT: 347.4055
SMILES: CC1=C/C(=C/C(C(C)OC(=O)C)OC(=O)C(C)C)/C23C1=NCCC2O3
Structure:
CAS RN: 142383-53-7
CAS Name: (4Z,6Z,9S,12Z,14Z,16R,17S,18S)-9-[(5S,6R,7R,8S,9S)-5,7-dihydroxy-9-methoxy-6,8-dimethyldecan-2-yl]-2,17-dihydroxy-12,14,16-trimethyl-10,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-11-one
OPENEYE Name: (4Z,6Z,9S,12Z,14Z,16R,17S,18S)-9-[(4S,5R,6R,7S,8S)-4,6-dihydroxy-8-methoxy-1,5,7-trimethyl-nonyl]-2,17-dihydroxy-12,14,16-trimethyl-10,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-11-one
IUPAC Name: (4Z,6Z,9S,12Z,14Z,16R,17S,18S)-9-[(5S,6R,7R,8S,9S)-5,7-dihydroxy-9-methoxy-6,8-dimethyldecan-2-yl]-2,17-dihydroxy-12,14,16-trimethyl-10,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-11-one
SYSTEMATIC NAME: (4Z,6Z,9S,12Z,14Z,16R,17S,18S)-9-[(5S,6R,7R,8S,9S)-9-methoxy-6,8-dimethyl-5,7-bis(oxidanyl)decan-2-yl]-12,14,16-trimethyl-2,17-bis(oxidanyl)-10,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-11-one
MOLECULAR FORMULA: C33H54O8
MOLECULAR WEIGHT: 578.77706
SMILES: C[C@@H]1/C=C(\C=C(/C(=O)O[C@@H](C/C=C\C=C/CC(C2[C@H]([C@H]1O)O2)O)C(C)CC[C@@H]([C@@H](C)[C@H]([C@H](C)[C@H](C)OC)O)O)\C)/C
Structure:
CAS RN: 142013-42-1
CAS Name: (E)-2-butenedioic acid; N-methyl-N-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]-4-(trifluoromethyl)benzamide
OPENEYE Name: fumaric acid; N-methyl-N-[(1R,2R)-2-(1-piperidyl)cyclohexyl]-4-(trifluoromethyl)benzamide
IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-methyl-N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C24H31F3N2O5
MOLECULAR WEIGHT: 484.50855
SMILES: CN([C@@H]1CCCC[C@H]1N2CCCCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 140679-94-3
CAS Name: (2S)-N-[(E,2S,4S,7S)-7-[[(2R)-2-amino-1-oxopropyl]amino]-4-formyl-5-(3-hydroxy-4-methoxyphenyl)-2-[[(Z)-3-(4-methoxyphenyl)-2-(methylamino)-1-oxoprop-2-enyl]amino]-3,6,10-trioxodec-8-en-4-yl]-3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamide
OPENEYE Name: (2S)-N-[(E,1S,4S)-4-[[(2R)-2-aminopropanoyl]amino]-1-formyl-2-(3-hydroxy-4-methoxy-phenyl)-1-[(2S)-2-[[(Z)-3-(4-methoxyphenyl)-2-(methylamino)prop-2-enoyl]amino]propanoyl]-3,7-dioxo-hept-5-enyl]-3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamide
IUPAC Name: (2S)-N-[(E,2S,4S,7S)-7-[[(2R)-2-aminopropanoyl]amino]-4-formyl-5-(3-hydroxy-4-methoxyphenyl)-2-[[(Z)-3-(4-methoxyphenyl)-2-(methylamino)prop-2-enoyl]amino]-3,6,10-trioxodec-8-en-4-yl]-3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(E,2S,4S,7S)-7-[[(2R)-2-azanylpropanoyl]amino]-4-methanoyl-5-(4-methoxy-3-oxidanyl-phenyl)-2-[[(Z)-3-(4-methoxyphenyl)-2-(methylamino)prop-2-enoyl]amino]-3,6,10-tris(oxidanylidene)dec-8-en-4-yl]-3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanam
MOLECULAR FORMULA: C43H52N6O11
MOLECULAR WEIGHT: 828.90658
SMILES: C[C@H](C(=O)N[C@@H](/C=C/C=O)C(=O)C(C1=CC(=C(C=C1)OC)O)[C@](C=O)(C(=O)[C@H](C)NC(=O)/C(=C/C2=CC=C(C=C2)OC)/NC)N(C)C(=O)[C@H](CC3=CC=C(C=C3)O)NC)N
Structure:
CAS RN: 137593-41-0
CAS Name: (E)-N-[(E,3R)-3-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]-10-(1-pyrenyl)-9-decenamide
OPENEYE Name: (E)-N-[(E,2R)-2-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]-10-pyren-1-yl-dec-9-enamide
IUPAC Name: (E)-N-[(E,3R)-3-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-10-pyren-1-yldec-9-enamide
SYSTEMATIC NAME: (E)-N-[(E,3R)-1-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]-10-pyren-1-yl-dec-9-enamide
MOLECULAR FORMULA: C50H71NO8
MOLECULAR WEIGHT: 814.10064
SMILES: CCCCCCCCCCCCC/C=C/[C@H](C(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C/C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O
Structure:
CAS RN: 135108-10-0
CAS Name: (2S,4S)-4-amino-2-[[(Z)-2-amino-3-(4-iodophenyl)-1-oxoprop-2-enyl]-[2-[[(2S)-2-amino-3-mercapto-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-5-(4-hydroxyphenyl)-2-(2-mercaptopropan-2-yl)-3-oxopentanoic acid
OPENEYE Name: (2S,4S)-4-amino-2-[[(Z)-2-amino-3-(4-iodophenyl)prop-2-enoyl]-[2-[[(2S)-2-amino-3-methyl-3-sulfanyl-butanoyl]amino]acetyl]amino]-5-(4-hydroxyphenyl)-2-(1-methyl-1-sulfanyl-ethyl)-3-oxo-pentanoic acid
IUPAC Name: (2S,4S)-4-amino-2-[[(Z)-2-amino-3-(4-iodophenyl)prop-2-enoyl]-[2-[[(2S)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]acetyl]amino]-5-(4-hydroxyphenyl)-3-oxo-2-(2-sulfanylpropan-2-yl)pentanoic acid
SYSTEMATIC NAME: (2S,4S)-4-azanyl-2-[[(Z)-2-azanyl-3-(4-iodophenyl)prop-2-enoyl]-[2-[[(2S)-2-azanyl-3-methyl-3-sulfanyl-butanoyl]amino]ethanoyl]amino]-5-(4-hydroxyphenyl)-3-oxidanylidene-2-(2-sulfanylpropan-2-yl)pentanoic acid
MOLECULAR FORMULA: C30H38IN5O7S2
MOLECULAR WEIGHT: 771.68649
SMILES: CC(C)([C@H](C(=O)NCC(=O)N(C(=O)/C(=C/C1=CC=C(C=C1)I)/N)[C@@](C(=O)[C@H](CC2=CC=C(C=C2)O)N)(C(=O)O)C(C)(C)S)N)S
Structure:
CAS RN: 133910-11-9
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[1-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[2-[3-(1-hydroxy-1-methyl-ethyl)phenyl]-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[1-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[1-[3-(2-oxidanylpropan-2-yl)phenyl]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C31H44O3
MOLECULAR WEIGHT: 464.67926
SMILES: CC(CC1=CC(=CC=C1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C
Structure:
CAS RN: 130812-05-4
CAS Name: 2-[(14E)-9-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid
OPENEYE Name: 2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid
IUPAC Name: 2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid
SYSTEMATIC NAME: 2-[(14E)-9-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethanoic acid
MOLECULAR FORMULA: C31H51NO10
MOLECULAR WEIGHT: 597.73734
SMILES: CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC(=O)O)C)C)C
Structure:
CAS RN: 130595-24-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: C[C@@H]1C[C@@H]2C3=C4[C@]1(CC/C(=C/CC[C@](O2)([C@@H]([C@]3(OC4)O)O)C)/C)C
Structure:
CAS RN: 130582-12-6
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-6-[[(Z)-1,4-dioxobut-2-enyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-6-amino-1-oxohexyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-6-[[(Z)-4-oxobut-2-enoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-amino-hexanoyl]amino]-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-6-[[(Z)-4-oxobut-2-enoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-acetamido-6-[[(Z)-4-oxidanylidenebut-2-enoyl]amino]hexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-6-azanyl-hexanoyl]amino]-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-
MOLECULAR FORMULA: C44H58N10O11
MOLECULAR WEIGHT: 902.99172
SMILES: CC(=O)N[C@@H](CCCCNC(=O)/C=C\C=O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
Structure:
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