CAS RN: 57454-45-2
CAS Name: 4-fluorosulfonylbenzoic acid [(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-azanylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate
MOLECULAR FORMULA: C17H16FN5O7S
MOLECULAR WEIGHT: 455.394185
SMILES: C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3[14CH]=NC4=C3N=CN=C4N)O)O)S(=O)(=O)F
Structure:
CAS RN: 689264-29-7
CAS Name: N-[2-[hexyl-(4-nitrophenoxy)phosphoryl]oxyethyl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
OPENEYE Name: N-[2-[hexyl-(4-nitrophenoxy)phosphoryl]oxyethyl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
IUPAC Name: N-[2-[hexyl-(4-nitrophenoxy)phosphoryl]oxyethyl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
SYSTEMATIC NAME: N-[2-[hexyl-(4-nitrophenoxy)phosphoryl]oxyethyl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
MOLECULAR FORMULA: C26H35N6O9P
MOLECULAR WEIGHT: 606.564661
SMILES: CCCCCCP(=O)(OCCNC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 21802-48-2
CAS Name: 1-ethyl-6-purinamine
OPENEYE Name: 1-ethylpurin-6-amine
IUPAC Name: 1-ethylpurin-6-amine
SYSTEMATIC NAME: 1-ethylpurin-6-amine
MOLECULAR FORMULA: C7H9N5
MOLECULAR WEIGHT: 163.17986
SMILES: CCN1C=NC2=NC=NC2=C1N
Structure:
CAS RN: 68946-52-1
CAS Name: 4-[[(3R)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
OPENEYE Name: 4-[[(3R)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxo-butanoic acid
IUPAC Name: 4-[[(3R)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(3R)-7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H15ClN2O5
MOLECULAR WEIGHT: 386.7858
SMILES: C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)CCC(=O)O
Structure:
CAS RN: 51990-98-8
CAS Name: 4-[[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
OPENEYE Name: 4-[[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxo-butanoic acid
IUPAC Name: 4-[[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(3S)-7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H15ClN2O5
MOLECULAR WEIGHT: 386.7858
SMILES: C1=CC=C(C=C1)C2=N[C@H](C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)CCC(=O)O
Structure:
CAS RN: 84799-34-8
CAS Name: acetic acid [(3S)-7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] ester
OPENEYE Name: [(3S)-7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
IUPAC Name: [(3S)-7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
SYSTEMATIC NAME: [(3S)-7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C17H12Cl2N2O3
MOLECULAR WEIGHT: 363.19478
SMILES: CC(=O)O[C@H]1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
Structure:
CAS RN: 2042-27-5
CAS Name: (3S,4S)-1,3,4,5-tetrahydroxy-2-pentanone
OPENEYE Name: (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one
IUPAC Name: (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one
SYSTEMATIC NAME: (3S,4S)-1,3,4,5-tetrakis(oxidanyl)pentan-2-one
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C([C@@H]([C@@H](C(=O)CO)O)O)O
Structure:
CAS RN: 4172-43-4
CAS Name: (2R,3R,4S)-2,3,4,5-tetrahydroxypentanoic acid
OPENEYE Name: (2R,3R,4S)-2,3,4,5-tetrahydroxypentanoic acid
IUPAC Name: (2R,3R,4S)-2,3,4,5-tetrahydroxypentanoic acid
SYSTEMATIC NAME: (2R,3R,4S)-2,3,4,5-tetrakis(oxidanyl)pentanoic acid
MOLECULAR FORMULA: C5H10O6
MOLECULAR WEIGHT: 166.1293
SMILES: C([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O
Structure:
CAS RN: 1763-10-6
CAS Name: hexadecanethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] hexadecanethioate
IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioate
SYSTEMATIC NAME: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] hexadecanethioate
MOLECULAR FORMULA: C37H66N7O17P3S
MOLECULAR WEIGHT: 1005.942923
SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
CAS RN: 763145-57-9
CAS Name: 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)-N-(1-methyl-4-piperidinyl)benzamide
OPENEYE Name: 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)-N-(1-methyl-4-piperidyl)benzamide
IUPAC Name: 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide
SYSTEMATIC NAME: 4-(6-fluoranyl-3-oxidanylidene-1H-pyrazolo[4,3-c]cinnolin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide
MOLECULAR FORMULA: C22H21FN6O2
MOLECULAR WEIGHT: 420.439543
SMILES: CN1CCC(CC1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(N3)C5=C(C(=CC=C5)F)N=N4
Structure:
CAS RN: 702705-02-0
CAS Name: N-[3-(dimethylamino)propyl]-4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
OPENEYE Name: N-[3-(dimethylamino)propyl]-4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
IUPAC Name: N-[3-(dimethylamino)propyl]-4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
SYSTEMATIC NAME: N-[3-(dimethylamino)propyl]-4-(6-fluoranyl-3-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-2-yl)benzamide
MOLECULAR FORMULA: C22H22FN5O2
MOLECULAR WEIGHT: 407.440783
SMILES: CN(C)CCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CN=C4C(=C3N2)C=CC=C4F
Structure:
CAS RN: 5750-57-2
CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C16H25N5O16P2
MOLECULAR WEIGHT: 605.341122
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N
Structure:
CAS RN: 15839-78-8
CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C14H22N2O16P2
MOLECULAR WEIGHT: 536.275802
SMILES: C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
Structure:
CAS RN: 50-81-7
CAS Name: (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone
OPENEYE Name: (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one
IUPAC Name: (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one
SYSTEMATIC NAME: (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one
MOLECULAR FORMULA: C6H8O6
MOLECULAR WEIGHT: 176.12412
SMILES: C([C@H]([C@H]1C(=O)C(=C(O1)O)O)O)O
Structure:
CAS RN: 10504-35-5
CAS Name: (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone
OPENEYE Name: (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one
IUPAC Name: (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one
SYSTEMATIC NAME: (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one
MOLECULAR FORMULA: C6H8O6
MOLECULAR WEIGHT: 176.12412
SMILES: C([C@H]([C@H]1C(=O)C(=C(O1)O)O)O)O
Structure:
CAS RN: 486449-65-4
CAS Name: 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
OPENEYE Name: 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
IUPAC Name: 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
SYSTEMATIC NAME: 4-(6-fluoranyl-3-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
MOLECULAR FORMULA: C17H10FN3O3
MOLECULAR WEIGHT: 323.278003
SMILES: C1=CC2=C3C(=CN=C2C(=C1)F)C(=O)N(N3)C4=CC=C(C=C4)C(=O)O
Structure:
CAS RN: 14000-31-8
CAS Name: phosphonato phosphate
OPENEYE Name: phosphonato phosphate
IUPAC Name: phosphonato phosphate
SYSTEMATIC NAME: phosphonato phosphate
MOLECULAR FORMULA: O7P2-4
MOLECULAR WEIGHT: 173.943322
SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-]
Structure:
CAS RN: 22372-29-8
CAS Name: [(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C12H23O14P
MOLECULAR WEIGHT: 422.276381
SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O
Structure:
CAS RN: 223104-29-8
CAS Name: 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline
OPENEYE Name: 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxy-aniline
IUPAC Name: 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline
SYSTEMATIC NAME: 2-[4-[[2,5-bis(fluoranyl)phenyl]methoxy]phenoxy]-5-ethoxy-aniline
MOLECULAR FORMULA: C21H19F2NO3
MOLECULAR WEIGHT: 371.377266
SMILES: CCOC1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)F)N
Structure:
CAS RN: 308364-83-2
CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[3-(4-methylsulfonylphenyl)-5-oxo-4-phenyl-2-oxolanyl]oxy]-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methylsulfonylphenyl)-5-oxo-4-phenyl-tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-methylsulfonylphenyl)-5-oxo-4-phenyloxolan-2-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[3-(4-methylsulfonylphenyl)-5-oxidanylidene-4-phenyl-oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C23H24O11S
MOLECULAR WEIGHT: 508.49506
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2C(C(=O)OC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4
Structure:
CAS RN: 185147-17-5
CAS Name: 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyl-2-oxolanone
OPENEYE Name: 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyl-tetrahydrofuran-2-one
IUPAC Name: 5-hydroxy-4-(4-methylsulfonylphenyl)-3-phenyloxolan-2-one
SYSTEMATIC NAME: 4-(4-methylsulfonylphenyl)-5-oxidanyl-3-phenyl-oxolan-2-one
MOLECULAR FORMULA: C17H16O5S
MOLECULAR WEIGHT: 332.37094
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2C(C(=O)OC2O)C3=CC=CC=C3
Structure:
CAS RN: 15762-07-9
CAS Name: ethanone
OPENEYE Name: ethanone
IUPAC Name: ethanone
SYSTEMATIC NAME: ethanone
MOLECULAR FORMULA: C2H3O+
MOLECULAR WEIGHT: 43.04462
SMILES: C[C+]=O
Structure:
CAS RN: 404586-85-2
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-N-[(2S)-1-[[(2S)-1-amino-4-methyl
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1S)-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-1-(hydro
IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-azanyl-4-methyl-1
MOLECULAR FORMULA: C39H71N15O15
MOLECULAR WEIGHT: 990.07254
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)O)NC(=O)[C@H](C(C)O)NC(=O)C
Structure:
CAS RN: 137407-62-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H48O32S8
MOLECULAR WEIGHT: 1489.48112
SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)S(=O)(=O)O)CC7=C(C(=CC(=C7)S(=O)(=O)O)CC8=C(C(=CC(=C8)S(=O)(=O)O)CC9=C(C1=CC(=C9)S(=O)(=O)O)O)O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 189397-70-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H24O16S4
MOLECULAR WEIGHT: 744.74056
SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=CC(=C5)S(=O)(=O)O)O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 139553-70-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H42O25S4
MOLECULAR WEIGHT: 906.87808
SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=CC(=C5)S(=O)(=O)O)O)O)S(=O)(=O)O)S(=O)(=O)O.O.O.O.O.O.O.O.O.O
Structure:
CAS RN: 52485-79-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H41NO4
MOLECULAR WEIGHT: 467.64014
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O
Structure:
No comments:
Post a Comment