CAS RN: 145066-21-3
CAS Name: 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl]piperidine-2,6-dione
OPENEYE Name: 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methyl-phenyl]-2-oxo-ethyl]piperidine-2,6-dione
IUPAC Name: 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl]piperidine-2,6-dione
SYSTEMATIC NAME: 4-[2-[3-(hydroxymethyl)-5-methyl-2-oxidanyl-phenyl]-2-oxidanylidene-ethyl]piperidine-2,6-dione
MOLECULAR FORMULA: C15H17NO5
MOLECULAR WEIGHT: 291.29918
SMILES: CC1=CC(=C(C(=C1)C(=O)CC2CC(=O)NC(=O)C2)O)CO
Structure:
CAS RN: 145014-58-0
CAS Name: 11-[(2S)-2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
OPENEYE Name: 11-[(2S)-2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
IUPAC Name: 11-[(2S)-2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
SYSTEMATIC NAME: 11-[(2S)-2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
MOLECULAR FORMULA: C19H24N2O
MOLECULAR WEIGHT: 296.40666
SMILES: C[C@@H](CNC)CN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
Structure:
CAS RN: 145011-49-0
CAS Name: acetic acid [(2R,6R)-2-(1-cyclohexenylmethyl)-5-oxo-2H-pyran-6-yl]methyl ester
OPENEYE Name: [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl acetate
IUPAC Name: [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxo-2H-pyran-6-yl]methyl acetate
SYSTEMATIC NAME: [(2R,6R)-2-(cyclohexen-1-ylmethyl)-5-oxidanylidene-2H-pyran-6-yl]methyl ethanoate
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC(=O)OC[C@@H]1C(=O)C=C[C@H](O1)CC2=CCCCC2
Structure:
CAS RN: 144886-19-1
CAS Name: 1-nitro-3-nitrosopyrene
OPENEYE Name: 1-nitro-3-nitroso-pyrene
IUPAC Name: 1-nitro-3-nitrosopyrene
SYSTEMATIC NAME: 1-nitro-3-nitroso-pyrene
MOLECULAR FORMULA: C16H8N2O3
MOLECULAR WEIGHT: 276.24632
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)N=O)[N+](=O)[O-]
Structure:
CAS RN: 144883-74-9
CAS Name: 4-dodecyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 4-dodecyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 4-dodecyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 4-dodecyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C25H43NO4
MOLECULAR WEIGHT: 421.61322
SMILES: CCCCCCCCCCCCC1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC
Structure:
CAS RN: 144883-73-8
CAS Name: 2,6-dimethyl-4-nonyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyl-4-nonyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-4-nonyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-dimethyl-4-nonyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C22H37NO4
MOLECULAR WEIGHT: 379.53348
SMILES: CCCCCCCCCC1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC
Structure:
CAS RN: 144810-23-1
CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[[hydroxy(methyl)amino]-oxomethyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[hydroxy(methyl)carbamoyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[hydroxy(methyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-3-[methyl(oxidanyl)carbamoyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C12H20N4O8S
MOLECULAR WEIGHT: 380.3742
SMILES: CN(C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
Structure:
CAS RN: 144796-91-8
CAS Name: 27-oxooctacosanoic acid
OPENEYE Name: 27-oxooctacosanoic acid
IUPAC Name: 27-oxooctacosanoic acid
SYSTEMATIC NAME: 27-oxidanylideneoctacosanoic acid
MOLECULAR FORMULA: C28H54O3
MOLECULAR WEIGHT: 438.72656
SMILES: CC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Structure:
CAS RN: 144732-36-5
CAS Name: 1-[2-[(3,7-diamino-2-hydroxy-1-oxoheptyl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[2-[(3,7-diamino-2-hydroxy-heptanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[2-[(3,7-diamino-2-hydroxyheptanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[[3,7-bis(azanyl)-2-oxidanyl-heptanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C15H28N4O5
MOLECULAR WEIGHT: 344.40662
SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(C(CCCCN)N)O
Structure:
CAS RN: 144676-04-0
CAS Name: 5-[(2,5-dihydroxyphenyl)methyl-hexylamino]-2-hydroxybenzoic acid
OPENEYE Name: 5-[(2,5-dihydroxyphenyl)methyl-hexyl-amino]-2-hydroxy-benzoic acid
IUPAC Name: 5-[(2,5-dihydroxyphenyl)methyl-hexylamino]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 5-[[2,5-bis(oxidanyl)phenyl]methyl-hexyl-amino]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C20H25NO5
MOLECULAR WEIGHT: 359.4162
SMILES: CCCCCCN(CC1=C(C=CC(=C1)O)O)C2=CC(=C(C=C2)O)C(=O)O
Structure:
CAS RN: 144660-78-6
CAS Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-thiazolecarbonitrile
OPENEYE Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thiazole-4-carbonitrile
IUPAC Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carbonitrile
SYSTEMATIC NAME: 2-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-thiazole-4-carbonitrile
MOLECULAR FORMULA: C9H10N2O4S
MOLECULAR WEIGHT: 242.2517
SMILES: C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C#N
Structure:
CAS RN: 144602-01-7
CAS Name: N-(1,3-dithiolan-2-ylideneamino)-2-oxopropanamide
OPENEYE Name: N-(1,3-dithiolan-2-ylideneamino)-2-oxo-propanamide
IUPAC Name: N-(1,3-dithiolan-2-ylideneamino)-2-oxopropanamide
SYSTEMATIC NAME: N-(1,3-dithiolan-2-ylideneamino)-2-oxidanylidene-propanamide
MOLECULAR FORMULA: C6H8N2O2S2
MOLECULAR WEIGHT: 204.26992
SMILES: CC(=O)C(=O)NN=C1SCCS1
Structure:
CAS RN: 144602-00-6
CAS Name: N-(1,3-dithiolan-2-ylideneamino)acetamide
OPENEYE Name: N-(1,3-dithiolan-2-ylideneamino)acetamide
IUPAC Name: N-(1,3-dithiolan-2-ylideneamino)acetamide
SYSTEMATIC NAME: N-(1,3-dithiolan-2-ylideneamino)ethanamide
MOLECULAR FORMULA: C5H8N2OS2
MOLECULAR WEIGHT: 176.25982
SMILES: CC(=O)NN=C1SCCS1
Structure:
CAS RN: 144424-76-0
CAS Name: (4S)-3-[[(1S,6S)-4-methoxy-6-methyl-1-cyclohex-3-enyl]-oxomethyl]-4-(phenylmethyl)-2-oxazolidinone
OPENEYE Name: (4S)-4-benzyl-3-[(1S,6S)-4-methoxy-6-methyl-cyclohex-3-ene-1-carbonyl]oxazolidin-2-one
IUPAC Name: (4S)-4-benzyl-3-[(1S,6S)-4-methoxy-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4S)-3-[(1S,6S)-4-methoxy-6-methyl-cyclohex-3-en-1-yl]carbonyl-4-(phenylmethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C19H23NO4
MOLECULAR WEIGHT: 329.39022
SMILES: C[C@H]1CC(=CC[C@@H]1C(=O)N2[C@H](COC2=O)CC3=CC=CC=C3)OC
Structure:
CAS RN: 144405-50-5
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-phenacylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-phenacyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenacylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-phenacyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C17H18N2O7
MOLECULAR WEIGHT: 362.33402
SMILES: C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 144398-20-9
CAS Name: (2R)-4-[(1R)-1-hydroxyoctyl]-2-methyl-2H-furan-5-one
OPENEYE Name: (2R)-4-[(1R)-1-hydroxyoctyl]-2-methyl-2H-furan-5-one
IUPAC Name: (2R)-4-[(1R)-1-hydroxyoctyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: (2R)-2-methyl-4-[(1R)-1-oxidanyloctyl]-2H-furan-5-one
MOLECULAR FORMULA: C13H22O3
MOLECULAR WEIGHT: 226.31198
SMILES: CCCCCCC[C@H](C1=C[C@H](OC1=O)C)O
Structure:
CAS RN: 144396-37-2
CAS Name: 2,2-diphenylacetic acid (4,4-dimethylcyclohexyl) ester
OPENEYE Name: (4,4-dimethylcyclohexyl) 2,2-diphenylacetate
IUPAC Name: (4,4-dimethylcyclohexyl) 2,2-diphenylacetate
SYSTEMATIC NAME: (4,4-dimethylcyclohexyl) 2,2-diphenylethanoate
MOLECULAR FORMULA: C22H26O2
MOLECULAR WEIGHT: 322.44064
SMILES: CC1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:
CAS RN: 144319-31-3
CAS Name: 1-[(6S,7R)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]-2-piperidinone
OPENEYE Name: 1-[(6S,7R)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]piperidin-2-one
IUPAC Name: 1-[(6S,7R)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]piperidin-2-one
SYSTEMATIC NAME: 1-[(6S,7R)-5,5-dimethyl-2-nitro-6-oxidanyl-6,7-dihydrothieno[3,2-b]pyran-7-yl]piperidin-2-one
MOLECULAR FORMULA: C14H18N2O5S
MOLECULAR WEIGHT: 326.36812
SMILES: CC1([C@H]([C@H](C2=C(O1)C=C(S2)[N+](=O)[O-])N3CCCCC3=O)O)C
Structure:
CAS RN: 144294-38-2
CAS Name: 2-methyl-3-imidazo[1,2-b]pyridazinecarboxylic acid
OPENEYE Name: 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
IUPAC Name: 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
SYSTEMATIC NAME: 2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: CC1=C(N2C(=N1)C=CC=N2)C(=O)O
Structure:
CAS RN: 144236-88-4
CAS Name: 2-[4-(2-hydroxyethoxy)phenyl]propanoic acid
OPENEYE Name: 2-[4-(2-hydroxyethoxy)phenyl]propanoic acid
IUPAC Name: 2-[4-(2-hydroxyethoxy)phenyl]propanoic acid
SYSTEMATIC NAME: 2-[4-(2-hydroxyethyloxy)phenyl]propanoic acid
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: CC(C1=CC=C(C=C1)OCCO)C(=O)O
Structure:
CAS RN: 144040-48-2
CAS Name: 5-hydroxy-8-methyl-1H-1-benzazepine-2,3-dione
OPENEYE Name: 5-hydroxy-8-methyl-1H-1-benzazepine-2,3-dione
IUPAC Name: 5-hydroxy-8-methyl-1H-1-benzazepine-2,3-dione
SYSTEMATIC NAME: 8-methyl-5-oxidanyl-1H-1-benzazepine-2,3-dione
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: CC1=CC2=C(C=C1)C(=CC(=O)C(=O)N2)O
Structure:
CAS RN: 144022-57-1
CAS Name: 1-[6-amino-2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1-oxohexyl]-N-[5-(diaminomethylideneamino)-1-(hexylamino)-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: 1-[6-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]hexanoyl]-N-[4-guanidino-1-(hexylcarbamoyl)butyl]pyrrolidine-2-carboxamide
IUPAC Name: 1-[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]-N-[5-(diaminomethylideneamino)-1-(hexylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: 1-[6-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]hexanoyl]-N-[5-[bis(azanyl)methylideneamino]-1-(hexylamino)-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C27H53N9O5
MOLECULAR WEIGHT: 583.76702
SMILES: CCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(C(C)O)N
Structure:
CAS RN: 5430-04-6
CAS Name: (2S,5R,6S)-6-chloro-3,3-dimethyl-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6S)-6-chloro-3,3-dimethyl-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6S)-6-chloro-3,3-dimethyl-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6S)-6-chloranyl-3,3-dimethyl-4,7-bis(oxidanylidene)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C8H10ClNO4S
MOLECULAR WEIGHT: 251.6873
SMILES: CC1([C@@H](N2[C@H](S1=O)[C@H](C2=O)Cl)C(=O)O)C
Structure:
CAS RN: 144022-55-9
CAS Name: 1-[6-amino-2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1-oxohexyl]-N-[5-(diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: 1-[6-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]hexanoyl]-N-[4-guanidino-1-(heptylcarbamoyl)butyl]pyrrolidine-2-carboxamide
IUPAC Name: 1-[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]-N-[5-(diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: 1-[6-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]hexanoyl]-N-[5-[bis(azanyl)methylideneamino]-1-(heptylamino)-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C28H55N9O5
MOLECULAR WEIGHT: 597.7936
SMILES: CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(C(C)O)N
Structure:
CAS RN: 97729-56-1
CAS Name: 2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethylamino]acetic acid
OPENEYE Name: 2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-dioxo-1-anthryl]amino]ethylamino]acetic acid
IUPAC Name: 2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid
SYSTEMATIC NAME: 2-[2-[[4-[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoic acid
MOLECULAR FORMULA: C22H26N4O7
MOLECULAR WEIGHT: 458.46444
SMILES: C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCC(=O)O
Structure:
CAS RN: 5429-09-4
CAS Name: [(1R,2R,3S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate
OPENEYE Name: [(1R,2R,3S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-2,3-dihydroxy-cyclopentyl]methyl dihydrogen phosphate
IUPAC Name: [(1R,2R,3S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(1R,2R,3S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2,3-bis(oxidanyl)cyclopentyl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C11H16N5O7P
MOLECULAR WEIGHT: 361.247801
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2NC(=NC3=O)N)O)O)COP(=O)(O)O
Structure:
CAS RN: 5428-11-5
CAS Name: 1-[3-(3-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidinyl)-4-piperidinecarboxamide
OPENEYE Name: 1-[3-(3-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide
IUPAC Name: 1-[3-(3-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-(3-oxidanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide
MOLECULAR FORMULA: C28H38N4O2
MOLECULAR WEIGHT: 462.62692
SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=C(CCC5=CC=CC=C53)C=C(C=C4)O)C(=O)N
Structure:
CAS RN: 5421-10-3
CAS Name: (1R,2R,4S)-4-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
OPENEYE Name: (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
IUPAC Name: (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
SYSTEMATIC NAME: (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylic acid
MOLECULAR FORMULA: C27H29NO11
MOLECULAR WEIGHT: 543.51926
SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@H]1C(=O)O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O
Structure:
CAS RN: 97583-07-8
CAS Name: (1R,2R,4S)-4-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
OPENEYE Name: (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
IUPAC Name: (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
SYSTEMATIC NAME: (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylic acid
MOLECULAR FORMULA: C27H29NO11
MOLECULAR WEIGHT: 543.51926
SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@H]1C(=O)O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O
Structure:
CAS RN: 97581-70-9
CAS Name: 1-[2-hydroxy-3-propyl-4-[[4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenyl]ethanone
OPENEYE Name: 1-[2-hydroxy-3-propyl-4-[[4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenyl]ethanone
IUPAC Name: 1-[2-hydroxy-3-propyl-4-[[4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]phenyl]ethanone
SYSTEMATIC NAME: 1-[2-oxidanyl-3-propyl-4-[[4-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenoxy]methyl]phenyl]ethanone
MOLECULAR FORMULA: C20H22N4O3
MOLECULAR WEIGHT: 366.41368
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)CC3=NNN=N3
Structure:
CAS RN: 97576-48-2
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-chloro-5-phenylmethoxy-4-prop-2-enoxy-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5R,6R)-4-allyloxy-5-benzyloxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-chloro-tetrahydropyran-3-yl] acetate
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-chloro-5-phenylmethoxy-4-prop-2-enoxyoxan-3-yl] acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-chloranyl-5-phenylmethoxy-4-prop-2-enoxy-oxan-3-yl] ethanoate
MOLECULAR FORMULA: C34H41ClO6Si
MOLECULAR WEIGHT: 609.22424
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Cl)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCC4=CC=CC=C4)OCC=C
Structure:
CAS RN: 97564-61-9
CAS Name: 1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(4,5,6-trihydroxy-3-methyl-2-oxanyl)oxy]-1-cyclopent-2-enecarbonitrile
OPENEYE Name: 1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-(4,5,6-trihydroxy-3-methyl-tetrahydropyran-2-yl)oxy-cyclopent-2-ene-1-carbonitrile
IUPAC Name: 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxycyclopent-2-ene-1-carbonitrile
SYSTEMATIC NAME: 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[3-methyl-4,5,6-tris(oxidanyl)oxan-2-yl]oxy-cyclopent-2-ene-1-carbonitrile
MOLECULAR FORMULA: C18H27NO11
MOLECULAR WEIGHT: 433.40708
SMILES: CC1C(C(C(OC1OC2CC(C=C2)(C#N)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Structure:
CAS RN: 97564-60-8
CAS Name: 1-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[(4,5,6-trihydroxy-3-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-4-hydroxy-1-cyclopent-2-enecarbonitrile
OPENEYE Name: 1-[3,4-dihydroxy-6-(hydroxymethyl)-5-(4,5,6-trihydroxy-3-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-cyclopent-2-ene-1-carbonitrile
IUPAC Name: 1-[3,4-dihydroxy-6-(hydroxymethyl)-5-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxycyclopent-2-ene-1-carbonitrile
SYSTEMATIC NAME: 1-[6-(hydroxymethyl)-5-[3-methyl-4,5,6-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclopent-2-ene-1-carbonitrile
MOLECULAR FORMULA: C18H27NO11
MOLECULAR WEIGHT: 433.40708
SMILES: CC1C(C(C(OC1OC2C(OC(C(C2O)O)OC3(CC(C=C3)O)C#N)CO)O)O)O
Structure:
CAS RN: 97559-39-2
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)butanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid
MOLECULAR FORMULA: C40H58N8O9S
MOLECULAR WEIGHT: 827.00172
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 143899-79-0
CAS Name: 2-(hydroxymethyl)-6-[2,3,6-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-[2,3,6-trihydroxy-5-(hydroxymethyl)cyclohexoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-[2,3,6-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[3-(hydroxymethyl)-2,5,6-tris(oxidanyl)cyclohexyl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C13H24O10
MOLECULAR WEIGHT: 340.32366
SMILES: C1C(C(C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O)O)CO
Structure:
CAS RN: 143873-69-2
CAS Name: 1a,7b-dihydrooxireno[2,3-c][1]benzopyran-2-one
OPENEYE Name: 1a,7b-dihydrooxireno[2,3-c]chromen-2-one
IUPAC Name: 1a,7b-dihydrooxireno[2,3-c]chromen-2-one
SYSTEMATIC NAME: 1a,7b-dihydrooxireno[2,3-c]chromen-2-one
MOLECULAR FORMULA: C9H6O3
MOLECULAR WEIGHT: 162.14214
SMILES: C1=CC=C2C(=C1)C3C(O3)C(=O)O2
Structure:
CAS RN: 143873-68-1
CAS Name: 4-amino-5-(1-hydroxy-1-phenylethyl)oxolane-2,3-diol
OPENEYE Name: 4-amino-5-(1-hydroxy-1-phenyl-ethyl)tetrahydrofuran-2,3-diol
IUPAC Name: 4-amino-5-(1-hydroxy-1-phenylethyl)oxolane-2,3-diol
SYSTEMATIC NAME: 4-azanyl-5-(1-oxidanyl-1-phenyl-ethyl)oxolane-2,3-diol
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CC(C1C(C(C(O1)O)O)N)(C2=CC=CC=C2)O
Structure:
No comments:
Post a Comment