CAS RN: 121377-67-1
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic aci
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanyl
MOLECULAR FORMULA: C39H57N9O9
MOLECULAR WEIGHT: 795.92478
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)N
Structure:
CAS RN: 106847-87-4
CAS Name: methanesulfonic acid [2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl] ester
OPENEYE Name: (3-benzyl-2,5-dioxo-pyrrolidin-1-yl) methanesulfonate
IUPAC Name: (3-benzyl-2,5-dioxopyrrolidin-1-yl) methanesulfonate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)-3-(phenylmethyl)pyrrolidin-1-yl] methanesulfonate
MOLECULAR FORMULA: C12H13NO5S
MOLECULAR WEIGHT: 283.30032
SMILES: CS(=O)(=O)ON1C(=O)CC(C1=O)CC2=CC=CC=C2
Structure:
CAS RN: 106828-96-0
CAS Name: (9R,10R)-9,10-dihydroxy-3-heptadeca-4,6-diynone
OPENEYE Name: (9R,10R)-9,10-dihydroxyheptadeca-4,6-diyn-3-one
IUPAC Name: (9R,10R)-9,10-dihydroxyheptadeca-4,6-diyn-3-one
SYSTEMATIC NAME: (9R,10R)-9,10-bis(oxidanyl)heptadeca-4,6-diyn-3-one
MOLECULAR FORMULA: C17H26O3
MOLECULAR WEIGHT: 278.38654
SMILES: CCCCCCC[C@H]([C@@H](CC#CC#CC(=O)CC)O)O
Structure:
CAS RN: 121348-74-1
CAS Name: 2-methoxy-3-phenylmethoxy-1-propanol
OPENEYE Name: 3-benzyloxy-2-methoxy-propan-1-ol
IUPAC Name: 2-methoxy-3-phenylmethoxypropan-1-ol
SYSTEMATIC NAME: 2-methoxy-3-phenylmethoxy-propan-1-ol
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: COC(CO)COCC1=CC=CC=C1
Structure:
CAS RN: 121345-64-0
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-[(1-methyl-2-propan-2-yl-3-indolyl)sulfonyl]phenoxy]-1-propanamine
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-isopropyl-1-methyl-indol-3-yl)sulfonylphenoxy]-N-methyl-propan-1-amine
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propan-1-amine
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-2-propan-2-yl-indol-3-yl)sulfonylphenoxy]propan-1-amine
MOLECULAR FORMULA: C32H40N2O5S
MOLECULAR WEIGHT: 564.7354
SMILES: CC(C)C1=C(C2=CC=CC=C2N1C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC
Structure:
CAS RN: 121333-93-5
CAS Name: (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5S,6R)-6-[[(2S,3S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-prop-2-enoxy-3-oxanyl]oxy]-4,5-dimethoxy-2-methyl-3-oxanyl]oxy]-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-2-allyloxy-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-(methoxymethyl)tetrahydropyran-3,5-diol
IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dimethoxy-6-[(2S,3S,4S,5R,6R)-4-methoxy-6-methyl-5-oxidanyl-2-prop-2-enoxy-oxan-3-yl]oxy-2-methyl-oxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
MOLECULAR FORMULA: C26H46O14
MOLECULAR WEIGHT: 582.63504
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCC=C)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC)O)OC)O)OC)OC)OC)O
Structure:
CAS RN: 106790-96-9
CAS Name: N-[2-(diethylamino)ethyl]-4-iodobenzamide
OPENEYE Name: N-[2-(diethylamino)ethyl]-4-iodo-benzamide
IUPAC Name: N-[2-(diethylamino)ethyl]-4-iodobenzamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-4-iodanyl-benzamide
MOLECULAR FORMULA: C13H19IN2O
MOLECULAR WEIGHT: 346.20723
SMILES: CCN(CC)CCNC(=O)C1=CC=C(C=C1)I
Structure:
CAS RN: 121325-65-3
CAS Name: 1-(diaminomethylidene)-3-(3-sulfamoylphenyl)urea hydrochloride
OPENEYE Name: 1-(diaminomethylene)-3-(3-sulfamoylphenyl)urea hydrochloride
IUPAC Name: 1-(diaminomethylidene)-3-(3-sulfamoylphenyl)urea hydrochloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-3-(3-sulfamoylphenyl)urea hydrochloride
MOLECULAR FORMULA: C8H12ClN5O3S
MOLECULAR WEIGHT: 293.73058
SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)N=C(N)N.Cl
Structure:
CAS RN: 121324-49-0
CAS Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
OPENEYE Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzamidine
IUPAC Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
SYSTEMATIC NAME: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
MOLECULAR FORMULA: C18H22N4O2
MOLECULAR WEIGHT: 326.39288
SMILES: C1=CC(=CC=C1C(=N)N)OCCCCOC2=CC=C(C=C2)C(=N)N
Structure:
CAS RN: 124076-61-5
CAS Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
OPENEYE Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzamidine
IUPAC Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
SYSTEMATIC NAME: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
MOLECULAR FORMULA: C18H22N4O2
MOLECULAR WEIGHT: 326.39288
SMILES: C1=CC(=CC=C1C(=N)N)OCCCCOC2=CC=C(C=C2)C(=N)N
Structure:
CAS RN: 121324-49-0
CAS Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide hydrochloride
OPENEYE Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzamidine hydrochloride
IUPAC Name: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C18H23ClN4O2
MOLECULAR WEIGHT: 362.85382
SMILES: C1=CC(=CC=C1C(=N)N)OCCCCOC2=CC=C(C=C2)C(=N)N.Cl
Structure:
CAS RN: 106777-19-9
CAS Name: (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid
OPENEYE Name: (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid
IUPAC Name: (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid
SYSTEMATIC NAME: (2R,3R,4R)-2,3,4,5-tetrakis(oxidanyl)-2-(phosphonooxymethyl)pentanoic acid
MOLECULAR FORMULA: C6H13O10P
MOLECULAR WEIGHT: 276.135181
SMILES: C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)O
Structure:
CAS RN: 121289-36-9
CAS Name: 2,4-bis[4-(dibutylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione
OPENEYE Name: 2,4-bis[4-(dibutylamino)-2-hydroxy-phenyl]cyclobutane-1,3-dione
IUPAC Name: 2,4-bis[4-(dibutylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione
SYSTEMATIC NAME: 2,4-bis[4-(dibutylamino)-2-oxidanyl-phenyl]cyclobutane-1,3-dione
MOLECULAR FORMULA: C32H46N2O4
MOLECULAR WEIGHT: 522.71864
SMILES: CCCCN(CCCC)C1=CC(=C(C=C1)C2C(=O)C(C2=O)C3=C(C=C(C=C3)N(CCCC)CCCC)O)O
Structure:
CAS RN: 121284-42-2
CAS Name: N-(6-amino-5-iodo-3-acridinyl)acetamide
OPENEYE Name: N-(6-amino-5-iodo-acridin-3-yl)acetamide
IUPAC Name: N-(6-amino-5-iodoacridin-3-yl)acetamide
SYSTEMATIC NAME: N-(6-azanyl-5-iodanyl-acridin-3-yl)ethanamide
MOLECULAR FORMULA: C15H12IN3O
MOLECULAR WEIGHT: 377.17975
SMILES: CC(=O)NC1=CC2=NC3=C(C=CC(=C3I)N)C=C2C=C1
Structure:
CAS RN: 106758-24-1
CAS Name: (2aS,4aR,7S,7aR,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,7,7b-tetrahydro-1H-cyclobuta[g]indene-2a,7-diol
OPENEYE Name: (2aS,4aR,7S,7aR,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,7,7b-tetrahydro-1H-cyclobuta[g]indene-2a,7-diol
IUPAC Name: (2aS,4aR,7S,7aR,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,7,7b-tetrahydro-1H-cyclobuta[g]indene-2a,7-diol
SYSTEMATIC NAME: (2aS,4aR,7S,7aR,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,7,7b-tetrahydro-1H-cyclobuta[g]indene-2a,7-diol
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: C[C@]12CC[C@@]3([C@@H]([C@]1([C@H](C=C2)O)CO)CC3(C)C)O
Structure:
CAS RN: 121280-51-1
CAS Name: disodium 4-[[2-butyl-5-(carboxylatomethyl)-4-chloro-1-imidazolyl]methyl]benzoate
OPENEYE Name: disodium 4-[[2-butyl-5-(carboxylatomethyl)-4-chloro-imidazol-1-yl]methyl]benzoate
IUPAC Name: disodium 4-[[2-butyl-5-(carboxylatomethyl)-4-chloroimidazol-1-yl]methyl]benzoate
SYSTEMATIC NAME: disodium 4-[[2-butyl-4-chloranyl-5-(2-oxidanidyl-2-oxidanylidene-ethyl)imidazol-1-yl]methyl]benzoate
MOLECULAR FORMULA: C17H17ClN2Na2O4
MOLECULAR WEIGHT: 394.76042
SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)[O-])CC(=O)[O-])Cl.[Na+].[Na+]
Structure:
CAS RN: 106732-52-9
CAS Name: (2S)-N-[(3S)-1-(2-amino-2-oxoethyl)-2-oxo-3-pyrrolidinyl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(3S)-1-(2-amino-2-oxo-ethyl)-2-oxo-pyrrolidin-3-yl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(3S)-1-(2-amino-2-oxoethyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(3S)-1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-pyrrolidin-3-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C11H18N4O3
MOLECULAR WEIGHT: 254.28562
SMILES: C1C[C@H](NC1)C(=O)N[C@H]2CCN(C2=O)CC(=O)N
Structure:
CAS RN: 121264-04-8
CAS Name: 2-[3-[1-[[2-(3,4-dichlorophenyl)-1-oxoethyl]-methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]acetic acid hydrochloride
OPENEYE Name: 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid hydrochloride
IUPAC Name: 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid hydrochloride
SYSTEMATIC NAME: 2-[3-[1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]ethanoic acid hydrochloride
MOLECULAR FORMULA: C23H27Cl3N2O4
MOLECULAR WEIGHT: 501.83048
SMILES: CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
Structure:
CAS RN: 121264-02-6
CAS Name: 1-[2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethylamino]-4,6-dimethyl-5-pyrimidinyl]ethanone trihydrochloride
OPENEYE Name: 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanone trihydrochloride
IUPAC Name: 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethylpyrimidin-5-yl]ethanone trihydrochloride
SYSTEMATIC NAME: 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanone trihydrochloride
MOLECULAR FORMULA: C21H32Cl3N5O2
MOLECULAR WEIGHT: 492.87008
SMILES: CC1=C(C(=NC(=N1)NCCN2CCN(CC2)C3=CC=CC=C3OC)C)C(=O)C.Cl.Cl.Cl
Structure:
CAS RN: 106709-55-1
CAS Name: (5R,5aR,8aS,9R)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
OPENEYE Name: (5R,5aR,8aS,9R)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
IUPAC Name: (5R,5aR,8aS,9R)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: (5R,5aR,8aS,9R)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C24H26O8
MOLECULAR WEIGHT: 442.45844
SMILES: CCO[C@@H]1[C@H]2COC(=O)[C@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
Structure:
CAS RN: 121261-51-6
CAS Name: nitric acid 2-[[(2-methyl-4-thiazolyl)-oxomethyl]amino]ethyl ester hydrochloride
OPENEYE Name: 2-[(2-methylthiazole-4-carbonyl)amino]ethyl nitrate hydrochloride
IUPAC Name: 2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl nitrate hydrochloride
SYSTEMATIC NAME: 2-[(2-methyl-1,3-thiazol-4-yl)carbonylamino]ethyl nitrate hydrochloride
MOLECULAR FORMULA: C7H10ClN3O4S
MOLECULAR WEIGHT: 267.69
SMILES: CC1=NC(=CS1)C(=O)NCCO[N+](=O)[O-].Cl
Structure:
CAS RN: 121258-46-6
CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid [(3R,4R,5R)-2-(6-amino-8-azido-9-purinyl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [(3R,4R,5R)-2-(6-amino-8-azido-purin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
IUPAC Name: [(3R,4R,5R)-2-(6-amino-8-azidopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
SYSTEMATIC NAME: [(3R,4R,5R)-2-(6-azanyl-8-azido-purin-9-yl)-4-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
MOLECULAR FORMULA: C22H26N9O15P3S
MOLECULAR WEIGHT: 781.479423
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O[C@@H]3[C@@H]([C@H](OC3N4C5=C(C(=NC=N5)N)N=C4N=[N+]=[N-])COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 106709-52-8
CAS Name: 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide
OPENEYE Name: 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methyl-acetamide
IUPAC Name: 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methyl-ethanamide
MOLECULAR FORMULA: C19H24Cl2N2O
MOLECULAR WEIGHT: 367.31266
SMILES: CN([C@H]1CCCC[C@H]1N2CC=CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 106692-36-8
CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
OPENEYE Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SYSTEMATIC NAME: N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide
MOLECULAR FORMULA: C9H16N2O2
MOLECULAR WEIGHT: 184.23554
SMILES: CC(=O)NCCCN1CCCC1=O
Structure:
CAS RN: 121245-07-6
CAS Name: (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylic acid methyl ester
OPENEYE Name: methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
IUPAC Name: methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
SYSTEMATIC NAME: methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate
MOLECULAR FORMULA: C24H22O11
MOLECULAR WEIGHT: 486.42488
SMILES: CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)OC)C(=O)OC
Structure:
CAS RN: 121230-30-6
CAS Name: 4,7-dihydroxy-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-carboxaldehyde
OPENEYE Name: 4,7-dihydroxy-5-methoxy-6-methyl-2-phenyl-chromane-8-carbaldehyde
IUPAC Name: 4,7-dihydroxy-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde
SYSTEMATIC NAME: 5-methoxy-6-methyl-4,7-bis(oxidanyl)-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: CC1=C(C(=C2C(=C1OC)C(CC(O2)C3=CC=CC=C3)O)C=O)O
Structure:
CAS RN: 106679-03-2
CAS Name: 3-[3-[[(4R)-4-[(5S,7R,10S,12S,13R,17S)-7,12-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]propyl-dimethylammonio]-1-propanesulfonate
OPENEYE Name: 3-[3-[[(4R)-4-[(5S,7R,10S,12S,13R,17S)-7,12-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]propyl-dimethyl-ammonio]propane-1-sulfonate
IUPAC Name: 3-[3-[[(4R)-4-[(5S,7R,10S,12S,13R,17S)-7,12-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]propyl-dimethylazaniumyl]propane-1-sulfonate
SYSTEMATIC NAME: 3-[3-[[(4R)-4-[(5S,7R,10S,12S,13R,17S)-10,13-dimethyl-7,12-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]propyl-dimethyl-azaniumyl]propane-1-sulfonate
MOLECULAR FORMULA: C32H58N2O6S
MOLECULAR WEIGHT: 598.87772
SMILES: C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C
Structure:
CAS RN: 121210-80-8
CAS Name: 1,8-dihydroxy-3-[(2-hydroxyethylamino)methyl]anthracene-9,10-dione
OPENEYE Name: 1,8-dihydroxy-3-[(2-hydroxyethylamino)methyl]anthracene-9,10-dione
IUPAC Name: 1,8-dihydroxy-3-[(2-hydroxyethylamino)methyl]anthracene-9,10-dione
SYSTEMATIC NAME: 3-[(2-hydroxyethylamino)methyl]-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C17H15NO5
MOLECULAR WEIGHT: 313.3047
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CNCCO)O
Structure:
CAS RN: 106678-69-7
CAS Name: (4S)-5-[[(2S)-3-carboxy-1-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxo-4-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentanoic acid
OPENEYE Name: (4S)-5-[[(1S)-1-(carboxymethyl)-2-[[(1S)-2-(carboxymethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
IUPAC Name: (4S)-5-[[(2S)-3-carboxy-1-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
SYSTEMATIC NAME: (4S)-5-[[(2S)-1-[[(2S)-1-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoic acid
MOLECULAR FORMULA: C19H27N5O12
MOLECULAR WEIGHT: 517.44398
SMILES: C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O
Structure:
CAS RN: 106663-84-7
CAS Name: 2-[[2-[anilino(oxo)methyl]phenyl]diselanyl]-N-phenylbenzamide
OPENEYE Name: N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]diselanyl]benzamide
IUPAC Name: N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]diselanyl]benzamide
SYSTEMATIC NAME: N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]diselanyl]benzamide
MOLECULAR FORMULA: C26H20N2O2Se2
MOLECULAR WEIGHT: 550.3692
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[Se][Se]C3=CC=CC=C3C(=O)NC4=CC=CC=C4
Structure:
CAS RN: 121197-29-3
CAS Name: (2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[(2-amino-1-oxobutyl)amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-(2-aminobutanoylamino)-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-(2-aminobutanoylamino)-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-(2-azanylbutanoylamino)-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C25H38N6O10
MOLECULAR WEIGHT: 582.60342
SMILES: CCC(C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N
Structure:
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