CAS RN: 71411-69-3
CAS Name: (2R,3S)-2-ethyl-3-phenyloxirane
OPENEYE Name: (2R,3S)-2-ethyl-3-phenyl-oxirane
IUPAC Name: (2R,3S)-2-ethyl-3-phenyloxirane
SYSTEMATIC NAME: (2R,3S)-2-ethyl-3-phenyl-oxirane
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC[C@@H]1[C@@H](O1)C2=CC=CC=C2
Structure:
CAS RN: 71393-85-6
CAS Name: 5-fluoro-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2S,3R,4S,5S)-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H10F2N2O5
MOLECULAR WEIGHT: 264.182906
SMILES: C1=C(C(=O)NC(=O)N1[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)F)F
Structure:
CAS RN: 71274-97-0
CAS Name: (1R,2R)-7,12-dimethyl-1,2-dihydrobenzo[a]anthracene-1,2-diol
OPENEYE Name: (1R,2R)-7,12-dimethyl-1,2-dihydrobenzo[a]anthracene-1,2-diol
IUPAC Name: (1R,2R)-7,12-dimethyl-1,2-dihydrobenzo[a]anthracene-1,2-diol
SYSTEMATIC NAME: (1R,2R)-7,12-dimethyl-1,2-dihydrobenzo[a]anthracene-1,2-diol
MOLECULAR FORMULA: C20H18O2
MOLECULAR WEIGHT: 290.35572
SMILES: CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)[C@H]([C@@H](C=C3)O)O
Structure:
CAS RN: 70682-28-9
CAS Name: (2R,3R)-2-amino-3-fluorobutanedioic acid
OPENEYE Name: (2R,3R)-2-amino-3-fluoro-butanedioic acid
IUPAC Name: (2R,3R)-2-amino-3-fluorobutanedioic acid
SYSTEMATIC NAME: (2R,3R)-2-azanyl-3-fluoranyl-butanedioic acid
MOLECULAR FORMULA: C4H6FNO4
MOLECULAR WEIGHT: 151.093143
SMILES: [C@H]([C@H](C(=O)O)F)(C(=O)O)N
Structure:
CAS RN: 70642-90-9
CAS Name: (3R,4S,5R)-2-(8-amino-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (3R,4S,5R)-2-(8-amino-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (3R,4S,5R)-2-(8-amino-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (3R,4S,5R)-2-(8-azanyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=CN2C(=NN=C2C(=N1)N)C3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 95732-45-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26O10
MOLECULAR WEIGHT: 462.44654
SMILES: CC1C2CC3C45COC(C4C(C(=O)O3)O)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC
Structure:
CAS RN: 95727-08-5
CAS Name: (1S,3R)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
OPENEYE Name: (1S,3R)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
IUPAC Name: (1S,3R)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SYSTEMATIC NAME: (1S,3R)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
MOLECULAR FORMULA: C13H19NO4
MOLECULAR WEIGHT: 253.29426
SMILES: CC1=C(C(=C2[C@H](N[C@H](CC2=C1)CO)CO)O)OC
Structure:
CAS RN: 95722-76-2
CAS Name: 7-[(5-amino-5-carboxy-1-oxopentyl)amino]-3-[[4-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-7-(diaminomethylideneamino)-3-hydroxy-1-oxoheptoxy]methyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: 7-[(5-amino-5-carboxy-pentanoyl)amino]-3-[[4-[2-(2-aminopropanoylamino)propanoylamino]-7-guanidino-3-hydroxy-heptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: 7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[2-(2-aminopropanoylamino)propanoylamino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-3-[[4-[2-(2-azanylpropanoylamino)propanoylamino]-7-[bis(azanyl)methylideneamino]-3-oxidanyl-heptanoyl]oxymethyl]-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C29H46N10O12S
MOLECULAR WEIGHT: 758.80034
SMILES: CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(CC(=O)OCC1=C(N2C(C(C2=O)(NC=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O)O)N
Structure:
CAS RN: 95722-75-1
CAS Name: 2,4,5,7-tetrahydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
OPENEYE Name: 2,4,5,7-tetrahydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
IUPAC Name: 2,4,5,7-tetrahydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
SYSTEMATIC NAME: 3-methoxy-2-methyl-2,4,5,7-tetrakis(oxidanyl)-3,4-dihydrotetracene-1,6,11-trione
MOLECULAR FORMULA: C20H16O8
MOLECULAR WEIGHT: 384.33624
SMILES: CC1(C(C(C2=C(C1=O)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC)O
Structure:
CAS RN: 95715-61-0
CAS Name: 2-cyclohexyl-N,N-diethylacetamide
OPENEYE Name: 2-cyclohexyl-N,N-diethyl-acetamide
IUPAC Name: 2-cyclohexyl-N,N-diethylacetamide
SYSTEMATIC NAME: 2-cyclohexyl-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C12H23NO
MOLECULAR WEIGHT: 197.31712
SMILES: CCN(CC)C(=O)CC1CCCCC1
Structure:
CAS RN: 95683-16-2
CAS Name: 2-[2-[dimethyl(undecyl)ammonio]ethyl-methylamino]ethyl-dimethyl-undecylammonium dibromide
OPENEYE Name: 2-[2-[dimethyl(undecyl)ammonio]ethyl-methyl-amino]ethyl-dimethyl-undecyl-ammonium dibromide
IUPAC Name: 2-[2-[dimethyl(undecyl)azaniumyl]ethyl-methylamino]ethyl-dimethyl-undecylazanium dibromide
SYSTEMATIC NAME: 2-[2-[dimethyl(undecyl)azaniumyl]ethyl-methyl-amino]ethyl-dimethyl-undecyl-azanium dibromide
MOLECULAR FORMULA: C31H69Br2N3
MOLECULAR WEIGHT: 643.70766
SMILES: CCCCCCCCCCC[N+](C)(C)CCN(C)CC[N+](C)(C)CCCCCCCCCCC.[Br-].[Br-]
Structure:
CAS RN: 122984-57-0
CAS Name: 2-(4-chlorophenoxy)acetic acid 1,3-bis(dimethylamino)propan-2-yl ester dihydrochloride
OPENEYE Name: [2-(dimethylamino)-1-[(dimethylamino)methyl]ethyl] 2-(4-chlorophenoxy)acetate dihydrochloride
IUPAC Name: 1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate dihydrochloride
SYSTEMATIC NAME: 1,3-bis(dimethylamino)propan-2-yl 2-(4-chloranylphenoxy)ethanoate dihydrochloride
MOLECULAR FORMULA: C15H25Cl3N2O3
MOLECULAR WEIGHT: 387.7296
SMILES: CN(C)CC(CN(C)C)OC(=O)COC1=CC=C(C=C1)Cl.Cl.Cl
Structure:
CAS RN: 37076-64-5
CAS Name: 1-(2,3-dihydrofuran-2-yl)-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1-(2,3-dihydrofuran-2-yl)-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1-(2,3-dihydrofuran-2-yl)-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(2,3-dihydrofuran-2-yl)-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H7FN2O3
MOLECULAR WEIGHT: 198.151183
SMILES: C1C=COC1N2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 68542-93-8
CAS Name: N-[2-[(2S)-2-[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[2-[(2S)-2-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[2-[(2S)-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[2-[(2S)-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C25H25N3O6
MOLECULAR WEIGHT: 463.4825
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 17357-75-4
CAS Name: N-[2-[(2S)-2-[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[2-[(2S)-2-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[2-[(2S)-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[2-[(2S)-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C25H25N3O6
MOLECULAR WEIGHT: 463.4825
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 6939-59-9
CAS Name: (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl phosphono hydrogen phosphate
OPENEYE Name: (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl phosphono hydrogen phosphate
IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C8H11NO9P2
MOLECULAR WEIGHT: 327.121762
SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 68170-69-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N4O9
MOLECULAR WEIGHT: 808.95824
SMILES: CCC1CC2CN(C1)C3C2C(C4=C(C3)C5=CC=CC=C5N4)(C6=C(C=C7C(=C6)C89CCN1C8C(CCC1)(C(C(C9N7C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
Structure:
CAS RN: 68975-84-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H26ClNO3
MOLECULAR WEIGHT: 351.86764
SMILES: C[C@H]1[C@@H]2C[C@@H]([C@@]3([C@@H]2[C@H](O[C@H]1O3)OC)C)NCCC4=CC=CC=C4Cl
Structure:
CAS RN: 67909-49-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17N3O
MOLECULAR WEIGHT: 303.35778
SMILES: CN1C2=CC=CC=C2C(=O)[N+]3=C1C4C(CC3)C5=CC=CC=C5[N-]4
Structure:
CAS RN: 67823-49-8
CAS Name: 2-[(3-methyl-2-nitrophenoxy)methyl]oxirane
OPENEYE Name: 2-[(3-methyl-2-nitro-phenoxy)methyl]oxirane
IUPAC Name: 2-[(3-methyl-2-nitrophenoxy)methyl]oxirane
SYSTEMATIC NAME: 2-[(3-methyl-2-nitro-phenoxy)methyl]oxirane
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CC1=C(C(=CC=C1)OCC2CO2)[N+](=O)[O-]
Structure:
CAS RN: 67727-97-3
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2,6-diamino-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C16H30N4O4
MOLECULAR WEIGHT: 342.4338
SMILES: CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N
Structure:
CAS RN: 67481-32-7
CAS Name: 3-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
OPENEYE Name: 3-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
IUPAC Name: 3-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
SYSTEMATIC NAME: 3-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
MOLECULAR FORMULA: C21H18O2
MOLECULAR WEIGHT: 302.36642
SMILES: CC1=C2CCC3=C2C(=CC4=C3C=CC5=C4C=CC(C5O)O)C=C1
Structure:
CAS RN: 67464-46-4
CAS Name: 1a,9b-dihydro-1H-phenanthro[9,10-b]azirine
OPENEYE Name: 1a,9b-dihydro-1H-phenanthro[9,10-b]azirine
IUPAC Name: 1a,9b-dihydro-1H-phenanthro[9,10-b]azirine
SYSTEMATIC NAME: 1a,9b-dihydro-1H-phenanthro[9,10-b]azirine
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 193.24384
SMILES: C1=CC=C2C(=C1)C3C(N3)C4=CC=CC=C42
Structure:
CAS RN: 68239-81-6
CAS Name: (2S)-2-amino-3-[[(2R,3R,4R)-3,4-dihydroxy-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[(2R,3R,4R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-propanoic acid
IUPAC Name: (2S)-2-amino-3-[(2R,3R,4R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[(2R,3R,4R)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-propanoic acid
MOLECULAR FORMULA: C14H25NO12
MOLECULAR WEIGHT: 399.3478
SMILES: C1C([C@@H]([C@H]([C@@H](O1)OC[C@@H](C(=O)O)N)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 68239-15-6
CAS Name: (2R,3R,4S,5S)-2-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-[(2-methylpropylthio)methyl]oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5S)-2-(4-azanylimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C15H22N4O3S
MOLECULAR WEIGHT: 338.42518
SMILES: CC(C)CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C=CN=C3N)O)O
Structure:
CAS RN: 67377-76-8
CAS Name: (2R,3R,4S,5S)-2-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-[(2-methylpropylthio)methyl]oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(isobutylsulfanylmethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5S)-2-(4-azanylimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C15H22N4O3S
MOLECULAR WEIGHT: 338.42518
SMILES: CC(C)CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C=CN=C3N)O)O
Structure:
CAS RN: 68230-59-1
CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-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] [(3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-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] [(3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-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] [(3R,4S,5S,6R)-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C16H24FN5O15P2
MOLECULAR WEIGHT: 607.332185
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)F)O)O)NC(=NC2=O)N
Structure:
CAS RN: 6813-99-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H48O4
MOLECULAR WEIGHT: 472.69972
SMILES: CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CC(C56C4CC(CC5)(C(OC6)O)C)O)C)C)C
Structure:
CAS RN: 68134-50-9
CAS Name: [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C8H13N4O7P
MOLECULAR WEIGHT: 308.185181
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O
Structure:
CAS RN: 66556-73-8
CAS Name: (2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C44H59N5O8
MOLECULAR WEIGHT: 785.96796
SMILES: CC(C)C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C
Structure:
CAS RN: 95617-30-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H13N
MOLECULAR WEIGHT: 147.21692
SMILES: C1C2C3CC4C1C5C2C3C4N5
Structure:
CAS RN: 108093-90-9
CAS Name: 1-(4-morpholinylmethyl)-4-[2-[4-(4-morpholinylmethyl)-3,5-dioxo-1-piperazinyl]propyl]piperazine-2,6-dione
OPENEYE Name: 1-(morpholinomethyl)-4-[2-[4-(morpholinomethyl)-3,5-dioxo-piperazin-1-yl]propyl]piperazine-2,6-dione
IUPAC Name: 1-(morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
SYSTEMATIC NAME: 1-(morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-bis(oxidanylidene)piperazin-1-yl]propyl]piperazine-2,6-dione
MOLECULAR FORMULA: C21H34N6O6
MOLECULAR WEIGHT: 466.53126
SMILES: CC(CN1CC(=O)N(C(=O)C1)CN2CCOCC2)N3CC(=O)N(C(=O)C3)CN4CCOCC4
Structure:
CAS RN: 95602-94-1
CAS Name: (6S)-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methyl-1-cyclohex-2-enone
OPENEYE Name: (6S)-6-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-3-methyl-cyclohex-2-en-1-one
IUPAC Name: (6S)-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
SYSTEMATIC NAME: (6S)-3-methyl-6-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CC1=CC(=O)[C@@H](CC1)[C@](C)(CCC=C(C)C)O
Structure:
CAS RN: 95574-38-2
CAS Name: (2S)-1-(2-amino-1-oxoethyl)-N-[(2S)-3-methyl-1-(2-naphthalenylamino)-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-1-(2-aminoacetyl)-N-[(1S)-2-methyl-1-(2-naphthylcarbamoyl)butyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-1-(2-aminoacetyl)-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-(2-azanylethanoyl)-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C23H30N4O3
MOLECULAR WEIGHT: 410.5093
SMILES: CCC(C)[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)[C@@H]3CCCN3C(=O)CN
Structure:
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