CAS RN: 185320-95-0
CAS Name: 1-octanone
OPENEYE Name: octan-1-one
IUPAC Name: octan-1-one
SYSTEMATIC NAME: octan-1-one
MOLECULAR FORMULA: C8H15O+
MOLECULAR WEIGHT: 127.2041
SMILES: CCCCCCC[C+]=O
Structure:
CAS RN: 41858-86-0
CAS Name: 1-hexanone
OPENEYE Name: hexan-1-one
IUPAC Name: hexan-1-one
SYSTEMATIC NAME: hexan-1-one
MOLECULAR FORMULA: C6H11O+
MOLECULAR WEIGHT: 99.15094
SMILES: CCCCC[C+]=O
Structure:
CAS RN: 136101-05-8
CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[3-[[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]benzoyl]amino]propanoate
IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[3-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-3-(1H-indol-3-yl)-2-[[3-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl]carbonylamino]propanoate
MOLECULAR FORMULA: C32H30N4O6
MOLECULAR WEIGHT: 566.6038
SMILES: COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OC
Structure:
CAS RN: 2717-75-1
CAS Name: (2S)-2-benzamido-3-(1H-indol-3-yl)propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
IUPAC Name: methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 55449-44-0
CAS Name: (2R)-2-methylbutanoic acid methyl ester
OPENEYE Name: methyl (2R)-2-methylbutanoate
IUPAC Name: methyl (2R)-2-methylbutanoate
SYSTEMATIC NAME: methyl (2R)-2-methylbutanoate
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC[C@@H](C)C(=O)OC
Structure:
CAS RN: 164658-13-3
CAS Name: 3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol
OPENEYE Name: 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol
IUPAC Name: 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol
SYSTEMATIC NAME: 3-[[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol
MOLECULAR FORMULA: C18H18ClN5O
MOLECULAR WEIGHT: 355.82142
SMILES: C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO
Structure:
CAS RN: 112676-07-0
CAS Name: N-(3-chlorophenyl)-4-pyridin-4-yl-2-pyrimidinamine
OPENEYE Name: N-(3-chlorophenyl)-4-(4-pyridyl)pyrimidin-2-amine
IUPAC Name: N-(3-chlorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-pyridin-4-yl-pyrimidin-2-amine
MOLECULAR FORMULA: C15H11ClN4
MOLECULAR WEIGHT: 282.72764
SMILES: C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC=NC=C3
Structure:
CAS RN: 22978-25-2
CAS Name: 2-chloro-5-nitro-N-phenylbenzamide
OPENEYE Name: 2-chloro-5-nitro-N-phenyl-benzamide
IUPAC Name: 2-chloro-5-nitro-N-phenylbenzamide
SYSTEMATIC NAME: 2-chloranyl-5-nitro-N-phenyl-benzamide
MOLECULAR FORMULA: C13H9ClN2O3
MOLECULAR WEIGHT: 276.67516
SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 140671-15-4
CAS Name: N-[2-(2-iodanyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
OPENEYE Name: N-[2-(2-iodanyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
IUPAC Name: N-[2-(2-iodanyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(2-iodanyl-5-methoxy-1H-indol-3-yl)ethyl]ethanamide
MOLECULAR FORMULA: C13H15IN2O2
MOLECULAR WEIGHT: 356.175024
SMILES: CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)[125I]
Structure:
CAS RN: 182509-57-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 356.450849
SMILES: [3H]COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
Structure:
CAS RN: 14521-96-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H33NO4
MOLECULAR WEIGHT: 411.53382
SMILES: CCC[C@](C)([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O
Structure:
CAS RN: 2964-07-0
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] dihydroxyphosphoryl hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphoryl hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] bis(oxidanyl)phosphoryl hydrogen phosphate
MOLECULAR FORMULA: C10H16N5O13P3
MOLECULAR WEIGHT: 508.181169
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[32P](=O)(O)O)O)O
Structure:
CAS RN: 160600-81-7
CAS Name: trioxido(oxo)phosphorane
OPENEYE Name: trioxido(oxo)-$l^{5}-phosphane
IUPAC Name: trioxido(oxo)-$l^{5}-phosphane
SYSTEMATIC NAME: tris(oxidanidyl)-oxidanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: O4P-3
MOLECULAR WEIGHT: 96.969325
SMILES: [O-][33P](=O)([O-])[O-]
Structure:
CAS RN: 6636-28-8
CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxy-3,5-diiodo-phenyl)propanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxy-3,5-diiodophenyl)propanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoate
MOLECULAR FORMULA: C13H11I2NO5
MOLECULAR WEIGHT: 515.03908
SMILES: C1CC(=O)N(C1=O)OC(=O)CCC2=CC(=C(C(=C2)I)O)I
Structure:
CAS RN: 110972-54-8
CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxy-3,5-diiodo-phenyl)propanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxy-3,5-diiodophenyl)propanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoate
MOLECULAR FORMULA: C13H11I2NO5
MOLECULAR WEIGHT: 515.03908
SMILES: C1CC(=O)N(C1=O)OC(=O)CCC2=CC(=C(C(=C2)I)O)I
Structure:
CAS RN: 767287-99-0
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-methoxy-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid methyl ester
OPENEYE Name: methyl (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoate
IUPAC Name: methyl (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-fluoro-4-oxopentanoate
SYSTEMATIC NAME: methyl (3S)-3-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-4-methoxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoate
MOLECULAR FORMULA: C29H40FN5O11S
MOLECULAR WEIGHT: 685.718203
SMILES: COC(=O)C[C@@H](C(=O)CF)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)OC)NC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 210344-97-1
CAS Name: (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-oxopentanoic acid methyl ester
OPENEYE Name: methyl (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-5-fluoro-4-oxo-pentanoate
IUPAC Name: methyl (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxopentanoate
SYSTEMATIC NAME: methyl (3S)-5-fluoranyl-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-pentanoate
MOLECULAR FORMULA: C31H39FN4O9
MOLECULAR WEIGHT: 630.661163
SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 147837-52-3
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C14H23N3O6
MOLECULAR WEIGHT: 329.34892
SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C
Structure:
CAS RN: 158076-69-8
CAS Name: 2,3,6-trichloro-5-(2,3,4,5-tetrachlorophenyl)phenol
OPENEYE Name: 2,3,6-trichloro-5-(2,3,4,5-tetrachlorophenyl)phenol
IUPAC Name: 2,3,6-trichloro-5-(2,3,4,5-tetrachlorophenyl)phenol
SYSTEMATIC NAME: 2,3,6-tris(chloranyl)-5-[2,3,4,5-tetrakis(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H3Cl7O
MOLECULAR WEIGHT: 411.32262
SMILES: C1=C(C(=C(C(=C1Cl)Cl)O)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl
Structure:
CAS RN: 150304-11-3
CAS Name: 3-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
OPENEYE Name: 3-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
IUPAC Name: 3-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
SYSTEMATIC NAME: 3-chloranyl-4-[2,3,5,6-tetrakis(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H5Cl5O
MOLECULAR WEIGHT: 342.4325
SMILES: C1=CC(=C(C=C1O)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl
Structure:
CAS RN: 192190-10-6
CAS Name: 2-chloro-4-(2,3,4,6-tetrachlorophenyl)phenol
OPENEYE Name: 2-chloro-4-(2,3,4,6-tetrachlorophenyl)phenol
IUPAC Name: 2-chloro-4-(2,3,4,6-tetrachlorophenyl)phenol
SYSTEMATIC NAME: 2-chloranyl-4-[2,3,4,6-tetrakis(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H5Cl5O
MOLECULAR WEIGHT: 342.4325
SMILES: C1=CC(=C(C=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 192190-09-3
CAS Name: 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol
OPENEYE Name: 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol
IUPAC Name: 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol
SYSTEMATIC NAME: 2-chloranyl-4-[2,3,4,5-tetrakis(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H5Cl5O
MOLECULAR WEIGHT: 342.4325
SMILES: C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 189578-02-7
CAS Name: 2-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
OPENEYE Name: 2-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
IUPAC Name: 2-chloro-4-(2,3,5,6-tetrachlorophenyl)phenol
SYSTEMATIC NAME: 2-chloranyl-4-[2,3,5,6-tetrakis(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H5Cl5O
MOLECULAR WEIGHT: 342.4325
SMILES: C1=CC(=C(C=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 189578-00-5
CAS Name: 2-chloro-4-(2,4,6-trichlorophenyl)phenol
OPENEYE Name: 2-chloro-4-(2,4,6-trichlorophenyl)phenol
IUPAC Name: 2-chloro-4-(2,4,6-trichlorophenyl)phenol
SYSTEMATIC NAME: 2-chloranyl-4-[2,4,6-tris(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H6Cl4O
MOLECULAR WEIGHT: 307.98744
SMILES: C1=CC(=C(C=C1C2=C(C=C(C=C2Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 689295-71-4
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-9-(1-oxopropoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-propanoyloxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
IUPAC Name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-propanoyloxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-9-propanoyloxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C24H30O8
MOLECULAR WEIGHT: 446.4902
SMILES: CCC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC
Structure:
CAS RN: 27251-84-9
CAS Name: [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] dihydrogen phosphate
OPENEYE Name: [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
IUPAC Name: [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13O9P
MOLECULAR WEIGHT: 260.135781
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)OP(=O)(O)O)O)O)O)O
Structure:
CAS RN: 86-04-4
CAS Name: [(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H14N4O11P2
MOLECULAR WEIGHT: 428.185882
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O
Structure:
CAS RN: 37992-17-9
CAS Name: (2R,4R,5R,6S)-5-acetamido-6-(1,2-dihydroxy-3-phosphonooxypropyl)-2,4-dihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2R,4R,5R,6S)-5-acetamido-6-(1,2-dihydroxy-3-phosphonooxy-propyl)-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2R,4R,5R,6S)-5-acetamido-6-(1,2-dihydroxy-3-phosphonooxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2R,4R,5R,6S)-5-acetamido-6-[1,2-bis(oxidanyl)-3-phosphonooxy-propyl]-2,4-bis(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C11H20NO12P
MOLECULAR WEIGHT: 389.249761
SMILES: CC(=O)N[C@@H]1[C@@H](C[C@@](O[C@@H]1C(C(COP(=O)(O)O)O)O)(C(=O)O)O)O
Structure:
CAS RN: 3615-17-6
CAS Name: N-[(2S,3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[(2S,3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2S,3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3S,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C8H15NO6
MOLECULAR WEIGHT: 221.2078
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
Structure:
CAS RN: 136-09-4
CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphono phosphate
OPENEYE Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono phosphate
IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono phosphate
SYSTEMATIC NAME: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono phosphate
MOLECULAR FORMULA: C12H18N4O7P2S
MOLECULAR WEIGHT: 424.306442
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])OP(=O)(O)O
Structure:
CAS RN: 124051-94-1
CAS Name: (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl phosphate
OPENEYE Name: (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl phosphate
IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl phosphate
SYSTEMATIC NAME: (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl phosphate
MOLECULAR FORMULA: C8H8NO6P-2
MOLECULAR WEIGHT: 245.125981
SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)([O-])[O-]
Structure:
CAS RN: 402956-84-7
CAS Name: (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-[[1-oxo-5-(2H-tetrazol-5-yl)pentyl]amino]butyl]amino]-1-oxobutyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
OPENEYE Name: (3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-N-[1-[2-oxo-2-[[(1S)-1-(4-pyridyl)ethyl]amino]acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
IUPAC Name: (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SYSTEMATIC NAME: (3S,3aS,6aR)-N-[1,2-bis(oxidanylidene)-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-1,2,3,4-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
MOLECULAR FORMULA: C37H56N10O6
MOLECULAR WEIGHT: 736.90394
SMILES: CCCC(C(=O)C(=O)N[C@@H](C)C1=CC=NC=C1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CCCCC4=NNN=N4
Structure:
CAS RN: 402956-83-6
CAS Name: (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-phenylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-[[1-oxo-5-(2H-tetrazol-5-yl)pentyl]amino]butyl]amino]-1-oxobutyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
OPENEYE Name: (3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-N-[1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
IUPAC Name: (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-phenylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SYSTEMATIC NAME: (3S,3aS,6aR)-N-[1,2-bis(oxidanylidene)-1-[[(1S)-1-phenylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-1,2,3,4-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
MOLECULAR FORMULA: C38H57N9O6
MOLECULAR WEIGHT: 735.91588
SMILES: CCCC(C(=O)C(=O)N[C@@H](C)C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CCCCC4=NNN=N4
Structure:
CAS RN: 6819-07-4
CAS Name: (2S,3R,4S,5R)-2-[[(3R,4R,5R,6S)-4,5-dihydroxy-6-(4-nitrophenoxy)-3-oxanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(4-nitrophenoxy)tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(4-nitrophenoxy)oxan-3-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]oxyoxane-3,4,5-triol
MOLECULAR FORMULA: C16H21NO11
MOLECULAR WEIGHT: 403.33804
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)OC3=CC=C(C=C3)[N+](=O)[O-])O)O)O
Structure:
CAS RN: 1223-07-0
CAS Name: (2S,3R,4S,5S)-2-(4-nitrophenoxy)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S)-2-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S)-2-(4-nitrophenoxy)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S)-2-(4-nitrophenoxy)oxane-3,4,5-triol
MOLECULAR FORMULA: C11H13NO7
MOLECULAR WEIGHT: 271.22342
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O
Structure:
CAS RN: 220440-89-1
CAS Name: (4R)-4-[[(2S)-2-acetamido-3-carboxy-1-oxopropyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[oxo-[2-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-2-(2,2,2-trifluoroethyl)hydrazinyl]methyl]-4-phenylmethoxy-1-pyrrolidinyl]butan-2-yl]amino]-1-
OPENEYE Name: (4R)-4-[[(2S)-2-acetamido-3-carboxy-propanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-1-[(2S,4R)-4-benzyloxy-2-[[[(1S)-1-phenylethyl]carbamoyl-(2,2,2-trifluoroethyl)amino]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentano
IUPAC Name: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[[(1S)-1-phenylethyl]carbamoyl-(2,2,2-trifluoroethyl)amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5
SYSTEMATIC NAME: (4R)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S,4R)-2-[[[(1S)-1-phenylethyl]carbamoyl-[2,2,2-tris(fluoranyl)ethyl]amino]carbamoyl]-4-phenylmethoxy-pyrrolidin-1-yl]butan-2-y
MOLECULAR FORMULA: C45H61F3N8O12
MOLECULAR WEIGHT: 963.00745
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC(F)(F)F)C(=O)N[C@@H](C)C2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
Structure:
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