CAS RN: 83808-03-1
CAS Name: 2-[[(10S,13S)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
OPENEYE Name: 2-[[(10S,13S)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
IUPAC Name: 2-[[(10S,13S)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
SYSTEMATIC NAME: 2-[[(10S,13S)-13-methyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methoxy]ethanoic acid
MOLECULAR FORMULA: C21H28O5
MOLECULAR WEIGHT: 360.44402
SMILES: C[C@]12CCC3C(C1CCC2=O)CCC4=CC(=O)CC[C@]34COCC(=O)O
Structure:
CAS RN: 83801-01-8
CAS Name: (2R,3R,6R,7R)-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
OPENEYE Name: (2R,3R,6R,7R)-7-[(5-amino-5-carboxy-pentanoyl)amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
IUPAC Name: (2R,3R,6R,7R)-7-[(5-amino-5-carboxypentanoyl)amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
SYSTEMATIC NAME: (2R,3R,6R,7R)-7-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
MOLECULAR FORMULA: C14H21N3O7S
MOLECULAR WEIGHT: 375.39744
SMILES: C[C@@]1(CS[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)CCCC(C(=O)O)N)O
Structure:
CAS RN: 83800-94-6
CAS Name: (4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide
OPENEYE Name: (4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
IUPAC Name: (4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
SYSTEMATIC NAME: (4R,7S,10S,13S,16S,19R)-10-(4-azanylbutyl)-19-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-13-(1H-indol-3-ylmethyl)-7-[(1R)-1-oxidanylethyl]-6,9,12,15,18-pentakis(oxidanylidene)-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
MOLECULAR FORMULA: C45H58N10O8S2
MOLECULAR WEIGHT: 931.13422
SMILES: C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)N)C(=O)N)O
Structure:
CAS RN: 79416-52-7
CAS Name: (3S,5S)-3-(2-hydroxyethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
OPENEYE Name: (3S,5S)-3-(2-hydroxyethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
IUPAC Name: (3S,5S)-3-(2-hydroxyethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SYSTEMATIC NAME: (3S,5S)-3-(2-hydroxyethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: C1[C@H]2N(C1=O)C[C@@H](O2)CCO
Structure:
CAS RN: 83692-83-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16N2O5
MOLECULAR WEIGHT: 268.26584
SMILES: CC1(O[C@@H]2[C@H]3C[C@@H]4CC(=O)NC(=O)N4[C@@H]([C@@H]2O1)O3)C
Structure:
CAS RN: 83670-99-9
CAS Name: (2S,3S,4S,5R,6S)-6-[2-[(carboxymethylamino)-oxomethyl]phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[2-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-(carboxymethylcarbamoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[2-(2-hydroxy-2-oxoethylcarbamoyl)phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C15H17NO10
MOLECULAR WEIGHT: 371.29618
SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
Structure:
CAS RN: 83661-65-8
CAS Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14
OPENEYE Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14
IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol; (8R,9S,13S,14S)-13-methyl-3-oxidanyl-7,8,9,
MOLECULAR FORMULA: C54H70O7
MOLECULAR WEIGHT: 831.1294
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 83598-46-3
CAS Name: [(1R,4S)-4-hydroxy-3-methyl-1-cyclopent-2-enyl]methyl-trimethylammonium iodide
OPENEYE Name: [(1R,4S)-4-hydroxy-3-methyl-cyclopent-2-en-1-yl]methyl-trimethyl-ammonium iodide
IUPAC Name: [(1R,4S)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium iodide
SYSTEMATIC NAME: trimethyl-[[(1R,4S)-3-methyl-4-oxidanyl-cyclopent-2-en-1-yl]methyl]azanium iodide
MOLECULAR FORMULA: C10H20INO
MOLECULAR WEIGHT: 297.17637
SMILES: CC1=C[C@@H](C[C@@H]1O)C[N+](C)(C)C.[I-]
Structure:
CAS RN: 83566-41-0
CAS Name: (2S)-2-amino-4-methylsulfonylbutanehydrazide
OPENEYE Name: (2S)-2-amino-4-methylsulfonyl-butanehydrazide
IUPAC Name: (2S)-2-amino-4-methylsulfonylbutanehydrazide
SYSTEMATIC NAME: (2S)-2-azanyl-4-methylsulfonyl-butanehydrazide
MOLECULAR FORMULA: C5H13N3O3S
MOLECULAR WEIGHT: 195.24002
SMILES: CS(=O)(=O)CC[C@@H](C(=O)NN)N
Structure:
CAS RN: 79102-58-2
CAS Name: 2-acetyloxybenzoic acid; N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine; N-(4-ethoxyphenyl)acetamide; 1,3,7-trimethylpurine-2,6-dione; hydrochloride
OPENEYE Name: 2-acetoxybenzoic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; N-(4-ethoxyphenyl)acetamide; 1,3,7-trimethylpurine-2,6-dione; hydrochloride
IUPAC Name: 2-acetyloxybenzoic acid; N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine; N-(4-ethoxyphenyl)acetamide; 1,3,7-trimethylpurine-2,6-dione; hydrochloride
SYSTEMATIC NAME: 2-acetyloxybenzoic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; N-(4-ethoxyphenyl)ethanamide; 1,3,7-trimethylpurine-2,6-dione; hydrochloride
MOLECULAR FORMULA: C44H52ClN7O8S
MOLECULAR WEIGHT: 874.44378
SMILES: CCOC1=CC=C(C=C1)NC(=O)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl
Structure:
CAS RN: 83511-07-3
CAS Name: 4-acetamido-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
OPENEYE Name: 4-acetamido-N-[2-(diethylamino)ethyl]-3-hydroxy-benzamide
IUPAC Name: 4-acetamido-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
SYSTEMATIC NAME: 4-acetamido-N-[2-(diethylamino)ethyl]-3-oxidanyl-benzamide
MOLECULAR FORMULA: C15H23N3O3
MOLECULAR WEIGHT: 293.36142
SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1)NC(=O)C)O
Structure:
CAS RN: 83507-88-4
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester; acetic acid [(10R,13S)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[
OPENEYE Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; [(10R,13S)-3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] a
IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; [(10R,13S)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] a
SYSTEMATIC NAME: [(10R,13S)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate; [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenan
MOLECULAR FORMULA: C51H68O7
MOLECULAR WEIGHT: 793.08142
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C.CC(=O)OC1(CCC2[C@@]1(CCC3C2CC=C4[C@@H]3CCC(=C4)OC5CCCC5)C)C#C
Structure:
CAS RN: 83498-80-0
CAS Name: 8-thiazolo[5,4-f]quinolinecarboxylic acid
OPENEYE Name: thiazolo[5,4-f]quinoline-8-carboxylic acid
IUPAC Name: [1,3]thiazolo[5,4-f]quinoline-8-carboxylic acid
SYSTEMATIC NAME: [1,3]thiazolo[5,4-f]quinoline-8-carboxylic acid
MOLECULAR FORMULA: C11H6N2O2S
MOLECULAR WEIGHT: 230.24254
SMILES: C1=CC2=NC=C(C=C2C3=C1N=CS3)C(=O)O
Structure:
CAS RN: 79008-78-9
CAS Name: (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl (1R,2R,4S)-2-ethyl-2,4,5,7,9-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C22H20O9
MOLECULAR WEIGHT: 428.3888
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=C(C=C4C3=O)O)O)O)O
Structure:
CAS RN: 83440-39-5
CAS Name: (2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
OPENEYE Name: (2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
IUPAC Name: (2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-10,13-dimethyl-12-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)O
Structure:
CAS RN: 83394-44-9
CAS Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid; pentanoic acid [2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2
OPENEYE Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; [2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate; nitr
IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; [2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate; nitri
SYSTEMATIC NAME: 1-[2-[[2,6-bis(chloranyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; [2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxid
MOLECULAR FORMULA: C45H51Cl4F2N3O9
MOLECULAR WEIGHT: 957.709946
SMILES: CCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C.C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
Structure:
No comments:
Post a Comment