CAS RN: 103947-06-4
CAS Name: 11-hydroxy-5-methyl-2-[2-(2-oxiranyl)-2-oxiranyl]naphtho[2,3-h][1]benzopyran-4,7,12-trione
OPENEYE Name: 11-hydroxy-5-methyl-2-[2-(oxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
IUPAC Name: 11-hydroxy-5-methyl-2-[2-(oxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
SYSTEMATIC NAME: 5-methyl-11-oxidanyl-2-[2-(oxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
MOLECULAR FORMULA: C22H14O7
MOLECULAR WEIGHT: 390.34236
SMILES: CC1=C2C(=O)C=C(OC2=C3C(=C1)C(=O)C4=C(C3=O)C(=CC=C4)O)C5(CO5)C6CO6
Structure:
CAS RN: 103946-64-1
CAS Name: acetic acid [4,5,8-triacetyloxy-6-(1-acetyloxy-4-methylpent-3-enyl)-1-naphthalenyl] ester
OPENEYE Name: [4,5,8-triacetoxy-6-(1-acetoxy-4-methyl-pent-3-enyl)-1-naphthyl] acetate
IUPAC Name: [4,5,8-triacetyloxy-6-(1-acetyloxy-4-methylpent-3-enyl)naphthalen-1-yl] acetate
SYSTEMATIC NAME: [4,5,8-triacetyloxy-6-(1-acetyloxy-4-methyl-pent-3-enyl)naphthalen-1-yl] ethanoate
MOLECULAR FORMULA: C26H28O10
MOLECULAR WEIGHT: 500.49452
SMILES: CC(=CCC(C1=C(C2=C(C=CC(=C2C(=C1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C
Structure:
CAS RN: 103939-92-0
CAS Name: 3-(3-ethyl-1,1-dimethyl-3-azepan-1-iumyl)phenol
OPENEYE Name: 3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenol
IUPAC Name: 3-(3-ethyl-1,1-dimethylazepan-1-ium-3-yl)phenol
SYSTEMATIC NAME: 3-(3-ethyl-1,1-dimethyl-azepan-1-ium-3-yl)phenol
MOLECULAR FORMULA: C16H26NO+
MOLECULAR WEIGHT: 248.38374
SMILES: CCC1(CCCC[N+](C1)(C)C)C2=CC(=CC=C2)O
Structure:
CAS RN: 103930-65-0
CAS Name: (4S)-5-amino-4-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-5-amino-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-5-amino-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-5-azanyl-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C34H43N7O9
MOLECULAR WEIGHT: 693.74672
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N)O
Structure:
CAS RN: 103930-64-9
CAS Name: (2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C29H35N5O7
MOLECULAR WEIGHT: 565.6175
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N)O
Structure:
CAS RN: 103884-86-2
CAS Name: 2-(5-azido-1,3-dioxo-2-benzo[de]isoquinolinyl)acetic acid
OPENEYE Name: 2-(5-azido-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetic acid
IUPAC Name: 2-(5-azido-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
SYSTEMATIC NAME: 2-[5-azido-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid
MOLECULAR FORMULA: C14H8N4O4
MOLECULAR WEIGHT: 296.23772
SMILES: C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC(=O)O)N=[N+]=[N-]
Structure:
CAS RN: 103788-05-2
CAS Name: 5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione
OPENEYE Name: 5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC Name: 5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-oxidanyl-ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C22H20N2O5S
MOLECULAR WEIGHT: 424.4696
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)C(COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)O
Structure:
CAS RN: 103745-46-6
CAS Name: (2S)-2-[[(2S)-6-amino-1-oxo-2-[[oxo-[(2S)-1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]methyl]amino]hexyl]amino]-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C22H40N8O5
MOLECULAR WEIGHT: 496.6036
SMILES: C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 103744-21-4
CAS Name: 4-hydroxy-3,6-dimethoxy-2-methyl-9H-carbazole-1-carboxaldehyde
OPENEYE Name: 4-hydroxy-3,6-dimethoxy-2-methyl-9H-carbazole-1-carbaldehyde
IUPAC Name: 4-hydroxy-3,6-dimethoxy-2-methyl-9H-carbazole-1-carbaldehyde
SYSTEMATIC NAME: 3,6-dimethoxy-2-methyl-4-oxidanyl-9H-carbazole-1-carbaldehyde
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: CC1=C(C2=C(C3=C(N2)C=CC(=C3)OC)C(=C1OC)O)C=O
Structure:
CAS RN: 103744-20-3
CAS Name: 4-hydroxy-3-methoxy-2-methyl-9H-carbazole-1-carboxaldehyde
OPENEYE Name: 4-hydroxy-3-methoxy-2-methyl-9H-carbazole-1-carbaldehyde
IUPAC Name: 4-hydroxy-3-methoxy-2-methyl-9H-carbazole-1-carbaldehyde
SYSTEMATIC NAME: 3-methoxy-2-methyl-4-oxidanyl-9H-carbazole-1-carbaldehyde
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: CC1=C(C2=C(C3=CC=CC=C3N2)C(=C1OC)O)C=O
Structure:
CAS RN: 103700-75-0
CAS Name: 4-[(3,5-dihydroxy-3-methyl-1-oxopentyl)amino]butanoic acid
OPENEYE Name: 4-[(3,5-dihydroxy-3-methyl-pentanoyl)amino]butanoic acid
IUPAC Name: 4-[(3,5-dihydroxy-3-methylpentanoyl)amino]butanoic acid
SYSTEMATIC NAME: 4-[[3-methyl-3,5-bis(oxidanyl)pentanoyl]amino]butanoic acid
MOLECULAR FORMULA: C10H19NO5
MOLECULAR WEIGHT: 233.26156
SMILES: CC(CCO)(CC(=O)NCCCC(=O)O)O
Structure:
CAS RN: 103692-53-1
CAS Name: 9-(aminomethyl)-9H-fluorene-3,4-diol
OPENEYE Name: 9-(aminomethyl)-9H-fluorene-3,4-diol
IUPAC Name: 9-(aminomethyl)-9H-fluorene-3,4-diol
SYSTEMATIC NAME: 9-(aminomethyl)-9H-fluorene-3,4-diol
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: C1=CC=C2C(=C1)C(C3=C2C(=C(C=C3)O)O)CN
Structure:
CAS RN: 103658-46-4
CAS Name: 7-amino-4,5,6-triethoxy-3-hydroxy-3H-isobenzofuran-1-one
OPENEYE Name: 7-amino-4,5,6-triethoxy-3-hydroxy-3H-isobenzofuran-1-one
IUPAC Name: 7-amino-4,5,6-triethoxy-3-hydroxy-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 7-azanyl-4,5,6-triethoxy-3-oxidanyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C14H19NO6
MOLECULAR WEIGHT: 297.30376
SMILES: CCOC1=C(C(=C(C2=C1C(OC2=O)O)N)OCC)OCC
Structure:
CAS RN: 103638-91-1
CAS Name: oxalic acid bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy-oxomethyl]-4-nitrophenyl] ester
OPENEYE Name: bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-4-nitro-phenyl] oxalate
IUPAC Name: bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-4-nitrophenyl] oxalate
SYSTEMATIC NAME: bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]-4-nitro-phenyl] ethanedioate
MOLECULAR FORMULA: C30H36N2O18
MOLECULAR WEIGHT: 712.60944
SMILES: COCCOCCOCCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCOCCOCCOC
Structure:
CAS RN: 103625-42-9
CAS Name: 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]benzoic acid
OPENEYE Name: 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]benzoic acid
IUPAC Name: 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[7-methoxy-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]benzoic acid
MOLECULAR FORMULA: C21H21NO5
MOLECULAR WEIGHT: 367.39514
SMILES: CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)C(=O)O)C
Structure:
CAS RN: 103625-33-8
CAS Name: [(2R)-3-(1-oxohexadecoxy)-2-[1-oxo-6-(1-pyrenyl)hexoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-hexadecanoyloxy-2-(6-pyren-1-ylhexanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-hexadecanoyloxy-2-(6-pyren-1-ylhexanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecanoyloxy-2-(6-pyren-1-ylhexanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C46H68NO8P
MOLECULAR WEIGHT: 794.007781
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
Structure:
CAS RN: 103625-22-5
CAS Name: 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one hydrochloride
OPENEYE Name: 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one hydrochloride
IUPAC Name: 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one hydrochloride
SYSTEMATIC NAME: 7-chloranyl-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one hydrochloride
MOLECULAR FORMULA: C18H14Cl3N3OS
MOLECULAR WEIGHT: 426.74726
SMILES: C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl)CCN=C=S.Cl
Structure:
CAS RN: 103620-94-6
CAS Name: 4-ethyl-4-methyl-2-thiolanone
OPENEYE Name: 4-ethyl-4-methyl-tetrahydrothiophen-2-one
IUPAC Name: 4-ethyl-4-methylthiolan-2-one
SYSTEMATIC NAME: 4-ethyl-4-methyl-thiolan-2-one
MOLECULAR FORMULA: C7H12OS
MOLECULAR WEIGHT: 144.23458
SMILES: CCC1(CC(=O)SC1)C
Structure:
CAS RN: 103620-92-4
CAS Name: 3-ethyl-3-methyl-2-thiolanone
OPENEYE Name: 3-ethyl-3-methyl-tetrahydrothiophen-2-one
IUPAC Name: 3-ethyl-3-methylthiolan-2-one
SYSTEMATIC NAME: 3-ethyl-3-methyl-thiolan-2-one
MOLECULAR FORMULA: C7H12OS
MOLECULAR WEIGHT: 144.23458
SMILES: CCC1(CCSC1=O)C
Structure:
CAS RN: 103616-64-4
CAS Name: (2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-piperidinecarboxamide
OPENEYE Name: (2R)-N-[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]piperidine-2-carboxamide
IUPAC Name: (2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]piperidine-2-carboxamide
MOLECULAR FORMULA: C14H26N4O3
MOLECULAR WEIGHT: 298.38124
SMILES: CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@H]1CCCCN1
Structure:
CAS RN: 103614-82-0
CAS Name: N-[(2S,3R,4R,5S,6R)-2-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[(2S,3R,4R,5S,6R)-2-(2-chloro-4-nitro-phenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R,4R,5S,6R)-2-(2-chloranyl-4-nitro-phenoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C14H17ClN2O8
MOLECULAR WEIGHT: 376.74638
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CO)O)O
Structure:
CAS RN: 103612-64-2
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]butyl]pentanamide
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethyl-amino]butyl]pentanamide
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]butyl]pentanamide
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]-ethyl-amino]butyl]pentanamide
MOLECULAR FORMULA: C24H34N6O4S
MOLECULAR WEIGHT: 502.62956
SMILES: CCN(CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C3=CC4=C(C=C3)C(=O)NNC4=O
Structure:
CAS RN: 103597-56-4
CAS Name: [(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate
OPENEYE Name: [(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl] dihydrogen phosphate
IUPAC Name: [(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate
SYSTEMATIC NAME: [(1R,2S,4R,5S)-2,3,4,6-tetrakis(oxidanyl)-5-phosphonooxy-cyclohexyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H14O12P2
MOLECULAR WEIGHT: 340.115682
SMILES: [C@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
Structure:
CAS RN: 103596-43-6
CAS Name: 1-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-2-propanamine
OPENEYE Name: 1-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-propan-2-amine
IUPAC Name: 1-(4-fluorophenyl)-N-methyl-N-prop-2-ynylpropan-2-amine
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-propan-2-amine
MOLECULAR FORMULA: C13H16FN
MOLECULAR WEIGHT: 205.271243
SMILES: CC(CC1=CC=C(C=C1)F)N(C)CC#C
Structure:
CAS RN: 103596-05-0
CAS Name: 2-[(1R,3aS,4S,7aS)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl]propanoic acid methyl ester
OPENEYE Name: methyl 2-[(1R,3aS,4S,7aS)-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl]propanoate
IUPAC Name: methyl 2-[(1R,3aS,4S,7aS)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl]propanoate
SYSTEMATIC NAME: methyl 2-[(1R,3aS,4S,7aS)-7a-methyl-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-5-oxidanylidene-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl]propanoate
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CC[C@@H]([C@]3(CCC2=O)C)C(C)C(=O)OC
Structure:
CAS RN: 103586-12-5
CAS Name: 4-amino-1-pent-3-ynyl-N-prop-2-enyl-5-pyrazolo[3,4-b]pyridinecarboxamide
OPENEYE Name: N-allyl-4-amino-1-pent-3-ynyl-pyrazolo[3,4-b]pyridine-5-carboxamide
IUPAC Name: 4-amino-1-pent-3-ynyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-1-pent-3-ynyl-N-prop-2-enyl-pyrazolo[3,4-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C15H17N5O
MOLECULAR WEIGHT: 283.32838
SMILES: CC#CCCN1C2=NC=C(C(=C2C=N1)N)C(=O)NCC=C
Structure:
CAS RN: 103583-08-0
CAS Name: 1-(6-amino-3-pyridinyl)-2-(4-phenylbutan-2-ylamino)ethanol
OPENEYE Name: 1-(6-amino-3-pyridyl)-2-[(1-methyl-3-phenyl-propyl)amino]ethanol
IUPAC Name: 1-(6-aminopyridin-3-yl)-2-(4-phenylbutan-2-ylamino)ethanol
SYSTEMATIC NAME: 1-(6-azanylpyridin-3-yl)-2-(4-phenylbutan-2-ylamino)ethanol
MOLECULAR FORMULA: C17H23N3O
MOLECULAR WEIGHT: 285.38402
SMILES: CC(CCC1=CC=CC=C1)NCC(C2=CN=C(C=C2)N)O
Structure:
CAS RN: 103541-73-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H11ClN4OS
MOLECULAR WEIGHT: 330.79204
SMILES: CC1=NN2C3=C(C=C(C=C3)Cl)S(=NC2=N1)(=O)C4=CC=CC=C4
Structure:
CAS RN: 103541-15-7
CAS Name: (3R,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenyl-2-pyrrolidinone
OPENEYE Name: (3R,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
IUPAC Name: (3R,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
SYSTEMATIC NAME: (3R,4S,5S)-1-methyl-3-oxidanyl-5-[(R)-oxidanyl(phenyl)methyl]-4-phenyl-pyrrolidin-2-one
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CN1[C@@H]([C@@H]([C@H](C1=O)O)C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)O
Structure:
CAS RN: 109905-95-5
CAS Name: (3R,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenyl-2-pyrrolidinone
OPENEYE Name: (3R,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
IUPAC Name: (3R,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
SYSTEMATIC NAME: (3R,4S,5S)-1-methyl-3-oxidanyl-5-[(R)-oxidanyl(phenyl)methyl]-4-phenyl-pyrrolidin-2-one
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CN1[C@@H]([C@@H]([C@H](C1=O)O)C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)O
Structure:
CAS RN: 103531-48-2
CAS Name: 6-fluoro-4-oxo-1-[(1R,2S)-2-phenylcyclopropyl]-7-(1-piperazinyl)-3-quinolinecarboxylic acid
OPENEYE Name: 6-fluoro-4-oxo-1-[(1R,2S)-2-phenylcyclopropyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid
IUPAC Name: 6-fluoro-4-oxo-1-[(1R,2S)-2-phenylcyclopropyl]-7-piperazin-1-ylquinoline-3-carboxylic acid
SYSTEMATIC NAME: 6-fluoranyl-4-oxidanylidene-1-[(1R,2S)-2-phenylcyclopropyl]-7-piperazin-1-yl-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C23H22FN3O3
MOLECULAR WEIGHT: 407.437483
SMILES: C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)[C@@H]4C[C@H]4C5=CC=CC=C5)F
Structure:
CAS RN: 103528-65-0
CAS Name: (2S)-2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: (2S)-2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: (2S)-2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C33H49NO6
MOLECULAR WEIGHT: 555.74526
SMILES: C[C@H](CCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)[C@H]2CCC3[C@@]2(CCC4C3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
Structure:
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