CAS RN: 134218-50-1
CAS Name: 1-[(1,3,4,5-tetramethyl-2-imidazol-1-iumyl)thio]-2-propanone
OPENEYE Name: 1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylpropan-2-one
IUPAC Name: 1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylpropan-2-one
SYSTEMATIC NAME: 1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylpropan-2-one
MOLECULAR FORMULA: C10H17N2OS+
MOLECULAR WEIGHT: 213.31978
SMILES: CC1=C([N+](=C(N1C)SCC(=O)C)C)C
Structure:
CAS RN: 134235-78-2
CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid
OPENEYE Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]octanoic acid
IUPAC Name: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid
SYSTEMATIC NAME: 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid
MOLECULAR FORMULA: C22H29ClN2O4S
MOLECULAR WEIGHT: 452.99466
SMILES: C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)O
Structure:
CAS RN: 134223-97-5
CAS Name: [(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium
OPENEYE Name: [(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium
IUPAC Name: [(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium
SYSTEMATIC NAME: [(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium
MOLECULAR FORMULA: C24H31NO5S
MOLECULAR WEIGHT: 445.57164
SMILES: C[C@@]12CCCC1C3CC(C4=C(C3CC2)C=CC(=C4)OC)OS(=O)(=O)[O-].C1=CC=[NH+]C=C1
Structure:
CAS RN: 134162-37-1
CAS Name: 8-(benzenesulfonamido)-7-(3-pyridinyl)octanoic acid
OPENEYE Name: 8-(benzenesulfonamido)-7-(3-pyridyl)octanoic acid
IUPAC Name: 8-(benzenesulfonamido)-7-pyridin-3-yloctanoic acid
SYSTEMATIC NAME: 8-(phenylsulfonylamino)-7-pyridin-3-yl-octanoic acid
MOLECULAR FORMULA: C19H24N2O4S
MOLECULAR WEIGHT: 376.46986
SMILES: C1=CC=C(C=C1)S(=O)(=O)NCC(CCCCCC(=O)O)C2=CN=CC=C2
Structure:
CAS RN: 134152-13-9
CAS Name: N-[(2,6-difluorophenyl)methyl]-N-$l^{1}-oxidanyl-2-methyl-2-propanamine
OPENEYE Name: N-[(2,6-difluorophenyl)methyl]-N-$l^{1}-oxidanyl-2-methyl-propan-2-amine
IUPAC Name: N-[(2,6-difluorophenyl)methyl]-N-$l^{1}-oxidanyl-2-methylpropan-2-amine
SYSTEMATIC NAME: N-[[2,6-bis(fluoranyl)phenyl]methyl]-N-$l^{1}-oxidanyl-2-methyl-propan-2-amine
MOLECULAR FORMULA: C11H14F2NO
MOLECULAR WEIGHT: 214.231766
SMILES: CC(C)(C)N(CC1=C(C=CC=C1F)F)[O]
Structure:
CAS RN: 134143-28-5
CAS Name: (2S)-6-amino-2-[[2-amino-8-[[(1S)-5-amino-1-carboxypentyl]amino]-7-[[(2S)-3-carboxy-2-[[(2S)-5-[(2S)-3-carboxy-2-[[(2S)-4-carboxy-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]butyl]amino]-1-oxopropoxy]-1,5-dioxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl
OPENEYE Name: (2S)-6-amino-2-[[2-amino-8-[[(1S)-5-amino-1-carboxy-pentyl]amino]-7-[[(2S)-3-carboxy-2-[[(2S)-5-[(2S)-3-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]oxy-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pen
IUPAC Name: (2S)-6-amino-2-[[2-amino-8-[[(1S)-5-amino-1-carboxypentyl]amino]-7-[[(2S)-3-carboxy-2-[[(2S)-5-[(2S)-3-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]oxy-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pent
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[2-azanyl-8-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-8-oxidanylidene-7-[[(2S)-4-oxidanyl-4-oxidanylidene-2-[[(2S)-5-oxidanylidene-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]-5-[(2S)-4-oxidanyl-4-oxidanyliden
MOLECULAR FORMULA: C48H74N12O22
MOLECULAR WEIGHT: 1171.16836
SMILES: C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC(CCCCC(C(=O)N[C@@H](CCCCN)C(=O)O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]2CCC(=O)N2
Structure:
CAS RN: 155238-94-1
CAS Name: (2S)-6-amino-2-[[2-amino-8-[[(1S)-5-amino-1-carboxypentyl]amino]-7-[[(2S)-3-carboxy-2-[[(2S)-5-[(2S)-3-carboxy-2-[[(2S)-4-carboxy-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]butyl]amino]-1-oxopropoxy]-1,5-dioxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl
OPENEYE Name: (2S)-6-amino-2-[[2-amino-8-[[(1S)-5-amino-1-carboxy-pentyl]amino]-7-[[(2S)-3-carboxy-2-[[(2S)-5-[(2S)-3-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]oxy-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pen
IUPAC Name: (2S)-6-amino-2-[[2-amino-8-[[(1S)-5-amino-1-carboxypentyl]amino]-7-[[(2S)-3-carboxy-2-[[(2S)-5-[(2S)-3-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]oxy-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pent
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[2-azanyl-8-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-8-oxidanylidene-7-[[(2S)-4-oxidanyl-4-oxidanylidene-2-[[(2S)-5-oxidanylidene-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]-5-[(2S)-4-oxidanyl-4-oxidanyliden
MOLECULAR FORMULA: C48H74N12O22
MOLECULAR WEIGHT: 1171.16836
SMILES: C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC(CCCCC(C(=O)N[C@@H](CCCCN)C(=O)O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]2CCC(=O)N2
Structure:
CAS RN: 134141-74-5
CAS Name: (6aR,10aR)-3-(5-azidopentyl)-2-iodo-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-ol
OPENEYE Name: (6aR,10aR)-3-(5-azidopentyl)-2-iodo-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
IUPAC Name: (6aR,10aR)-3-(5-azidopentyl)-2-iodo-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
SYSTEMATIC NAME: (6aR,10aR)-3-(5-azidopentyl)-2-iodanyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
MOLECULAR FORMULA: C21H28IN3O2
MOLECULAR WEIGHT: 481.37039
SMILES: CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C(=C3O)I)CCCCCN=[N+]=[N-])OC2(C)C
Structure:
CAS RN: 134136-38-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H40N4O15
MOLECULAR WEIGHT: 756.7099
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NC5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 134124-09-7
CAS Name: (2S)-2-[2-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]-5-tetrazolyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl (2S)-2-[2-[(1S)-2-benzyloxy-1-methyl-2-oxo-ethyl]tetrazol-5-yl]pyrrolidine-1-carboxylate
IUPAC Name: benzyl (2S)-2-[2-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]tetrazol-5-yl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (2S)-2-[2-[(2S)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]-1,2,3,4-tetrazol-5-yl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C23H25N5O4
MOLECULAR WEIGHT: 435.4757
SMILES: C[C@@H](C(=O)OCC1=CC=CC=C1)N2N=C(N=N2)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 134072-58-5
CAS Name: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylpurine-2,6-dione
OPENEYE Name: 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-propyl-purine-2,6-dione
IUPAC Name: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylpurine-2,6-dione
SYSTEMATIC NAME: 3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)-7-propyl-purine-2,6-dione
MOLECULAR FORMULA: C18H30N4O3
MOLECULAR WEIGHT: 350.4558
SMILES: CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCC(C)(C)O
Structure:
CAS RN: 134067-56-4
CAS Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-benzoyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
OPENEYE Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-benzoyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-benzoyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SYSTEMATIC NAME: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(phenylcarbonyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
MOLECULAR FORMULA: C25H31NO2
MOLECULAR WEIGHT: 377.51914
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C4=CC=CC=C4)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
Structure:
CAS RN: 134044-97-6
CAS Name: 8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-1-benzopyran-4-one
OPENEYE Name: 8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
IUPAC Name: 8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-7-methoxy-8-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C22H22O8
MOLECULAR WEIGHT: 414.40528
SMILES: C[C@@H]1[C@H]([C@H](C[C@H](O1)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)OC)O)O
Structure:
CAS RN: 134018-76-1
CAS Name: 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsepane-5,6-diol
OPENEYE Name: 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsepane-5,6-diol
IUPAC Name: 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsepane-5,6-diol
SYSTEMATIC NAME: 2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsepane-5,6-diol
MOLECULAR FORMULA: C13H17AsN6O2S2
MOLECULAR WEIGHT: 428.36468
SMILES: C1C(C(CS[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)O)O
Structure:
CAS RN: 133985-85-0
CAS Name: 2-(1-adamantyl)-1-(4-iodophenyl)guanidine
OPENEYE Name: 2-(1-adamantyl)-1-(4-iodophenyl)guanidine
IUPAC Name: 2-(1-adamantyl)-1-(4-iodophenyl)guanidine
SYSTEMATIC NAME: 2-(1-adamantyl)-1-(4-iodophenyl)guanidine
MOLECULAR FORMULA: C17H22IN3
MOLECULAR WEIGHT: 395.28115
SMILES: C1C2CC3CC1CC(C2)(C3)N=C(N)NC4=CC=C(C=C4)I
Structure:
CAS RN: 133983-25-2
CAS Name: disodium (3S)-4-[2-[1-(4-fluorophenyl)-3-propan-2-yl-2-indolyl]ethynyl-oxidophosphoryl]-3-hydroxybutanoate
OPENEYE Name: disodium (3S)-4-[2-[1-(4-fluorophenyl)-3-isopropyl-indol-2-yl]ethynyl-oxido-phosphoryl]-3-hydroxy-butanoate
IUPAC Name: disodium (3S)-4-[2-[1-(4-fluorophenyl)-3-propan-2-ylindol-2-yl]ethynyl-oxidophosphoryl]-3-hydroxybutanoate
SYSTEMATIC NAME: disodium (3S)-4-[2-[1-(4-fluorophenyl)-3-propan-2-yl-indol-2-yl]ethynyl-oxidanidyl-phosphoryl]-3-oxidanyl-butanoate
MOLECULAR FORMULA: C23H21FNNa2O5P
MOLECULAR WEIGHT: 487.368244
SMILES: CC(C)C1=C(N(C2=CC=CC=C21)C3=CC=C(C=C3)F)C#CP(=O)(C[C@H](CC(=O)[O-])O)[O-].[Na+].[Na+]
Structure:
CAS RN: 133982-66-8
CAS Name: 1-(4-fluorophenyl)-4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]-1-butanone
OPENEYE Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one
IUPAC Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one
SYSTEMATIC NAME: 4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
MOLECULAR FORMULA: C18H20F2N4O
MOLECULAR WEIGHT: 346.374406
SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=NC=C(C=N3)F
Structure:
CAS RN: 133973-80-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H23N5O
MOLECULAR WEIGHT: 385.46162
SMILES: CCCOC1=NC2=C(C=NN2C3=CC=CC=C3)C4=NC(CN41)CC5=CC=CC=C5
Structure:
CAS RN: 133967-00-7
CAS Name: 6-amino-1-cyclopropyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinone
OPENEYE Name: 6-amino-1-cyclopropyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-one
IUPAC Name: 6-amino-1-cyclopropyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one
SYSTEMATIC NAME: 6-azanyl-1-cyclopropyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-one
MOLECULAR FORMULA: C13H17N5O5
MOLECULAR WEIGHT: 323.30458
SMILES: C1CC1N2C(=C3C(=NC2=O)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
Structure:
CAS RN: 133950-79-5
CAS Name: 3-[(4-azidophenyl)methyl]-2-hydroxy-1-benzopyran-4-one
OPENEYE Name: 3-[(4-azidophenyl)methyl]-2-hydroxy-chromen-4-one
IUPAC Name: 3-[(4-azidophenyl)methyl]-2-hydroxychromen-4-one
SYSTEMATIC NAME: 3-[(4-azidophenyl)methyl]-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H11N3O3
MOLECULAR WEIGHT: 293.27684
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)O)CC3=CC=C(C=C3)N=[N+]=[N-]
Structure:
CAS RN: 133933-76-3
CAS Name: 4-amino-3-thiophen-2-ylbutanoic acid
OPENEYE Name: 4-amino-3-(2-thienyl)butanoic acid
IUPAC Name: 4-amino-3-thiophen-2-ylbutanoic acid
SYSTEMATIC NAME: 4-azanyl-3-thiophen-2-yl-butanoic acid
MOLECULAR FORMULA: C8H11NO2S
MOLECULAR WEIGHT: 185.24344
SMILES: C1=CSC(=C1)C(CC(=O)O)CN
Structure:
CAS RN: 133920-65-7
CAS Name: N-(4-acetyl-1-piperazinyl)-4-fluorobenzenesulfonamide
OPENEYE Name: N-(4-acetylpiperazin-1-yl)-4-fluoro-benzenesulfonamide
IUPAC Name: N-(4-acetylpiperazin-1-yl)-4-fluorobenzenesulfonamide
SYSTEMATIC NAME: N-(4-ethanoylpiperazin-1-yl)-4-fluoranyl-benzenesulfonamide
MOLECULAR FORMULA: C12H16FN3O3S
MOLECULAR WEIGHT: 301.337143
SMILES: CC(=O)N1CCN(CC1)NS(=O)(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 133919-89-8
CAS Name: N-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-1-oxopropan-2-yl]butanamide
OPENEYE Name: N-[(1S)-2-[4-[3-(3-aminopropylamino)propylamino]butylamino]-1-methyl-2-oxo-ethyl]butanamide
IUPAC Name: N-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-1-oxopropan-2-yl]butanamide
SYSTEMATIC NAME: N-[(2S)-1-[4-[3-(3-azanylpropylamino)propylamino]butylamino]-1-oxidanylidene-propan-2-yl]butanamide
MOLECULAR FORMULA: C17H37N5O2
MOLECULAR WEIGHT: 343.50798
SMILES: CCCC(=O)N[C@@H](C)C(=O)NCCCCNCCCNCCCN
Structure:
CAS RN: 133906-29-3
CAS Name: (4S)-5-(9H-fluoren-9-ylmethoxy)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-(tert-butoxycarbonylamino)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-pentanoic acid
IUPAC Name: (4S)-5-(9H-fluoren-9-ylmethoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-5-(9H-fluoren-9-ylmethoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C24H27NO6
MOLECULAR WEIGHT: 425.47428
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Structure:
CAS RN: 133882-75-4
CAS Name: 9-(1,3-benzodioxol-5-yl)-4-[[(2S,3R,4S,5R)-3,4-dimethoxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one
OPENEYE Name: 9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-3,4-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one
IUPAC Name: 9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-3,4-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
SYSTEMATIC NAME: 9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-dimethoxy-oxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
MOLECULAR FORMULA: C34H38O16
MOLECULAR WEIGHT: 702.65592
SMILES: CO[C@H]1[C@@H](CO[C@H]([C@@H]1OC)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=CC6=C(C=C5)OCO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Structure:
CAS RN: 133869-30-4
CAS Name: acetic acid [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzothiopyran-6-yl] ester
OPENEYE Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]thiochroman-6-yl] acetate
IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrothiochromen-6-yl] acetate
SYSTEMATIC NAME: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrothiochromen-6-yl] ethanoate
MOLECULAR FORMULA: C31H52O2S
MOLECULAR WEIGHT: 488.80838
SMILES: CC1=C(C(=C2CC[C@@](SC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C
Structure:
CAS RN: 133851-90-8
CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-amino-3-(4-hydroxyphenyl)propoxy]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-amino-3-(4-hydroxyphenyl)propoxy]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-amino-3-(4-hydroxyphenyl)propoxy]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[2-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propoxy]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
MOLECULAR FORMULA: C28H39N5O6
MOLECULAR WEIGHT: 541.63916
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)COC[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 133849-98-6
CAS Name: tetradecanoic acid [3-[[(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furanyl]-2-hydroxyethoxy]-hydroxyphosphoryl]oxy-2-(1-oxotetradecoxy)propyl] ester
OPENEYE Name: [3-[[(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furyl]-2-hydroxy-ethoxy]-hydroxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate
IUPAC Name: [3-[[(2S)-2-[(2R)-4,5-dihydroxy-3-oxofuran-2-yl]-2-hydroxyethoxy]-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
SYSTEMATIC NAME: [3-[[(2S)-2-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethoxy]-oxidanyl-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate
MOLECULAR FORMULA: C37H67O13P
MOLECULAR WEIGHT: 750.893841
SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)OC(=O)CCCCCCCCCCCCC
Structure:
CAS RN: 133825-80-6
CAS Name: 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
OPENEYE Name: 1-(2,6-diisopropylphenyl)-3-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]urea
IUPAC Name: 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
SYSTEMATIC NAME: 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
MOLECULAR FORMULA: C27H39N3O
MOLECULAR WEIGHT: 421.61806
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C
Structure:
CAS RN: 133825-81-7
CAS Name: 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea hydrochloride
OPENEYE Name: 1-(2,6-diisopropylphenyl)-3-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]urea hydrochloride
IUPAC Name: 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea hydrochloride
SYSTEMATIC NAME: 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea hydrochloride
MOLECULAR FORMULA: C27H40ClN3O
MOLECULAR WEIGHT: 458.079
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C.Cl
Structure:
CAS RN: 133825-72-6
CAS Name: N1,N4-dibutylbenzo[g]phthalazine-1,4-diamine
OPENEYE Name: N1,N4-dibutylbenzo[g]phthalazine-1,4-diamine
IUPAC Name: 1-N,4-N-dibutylbenzo[g]phthalazine-1,4-diamine
SYSTEMATIC NAME: N1,N4-dibutylbenzo[g]phthalazine-1,4-diamine
MOLECULAR FORMULA: C20H26N4
MOLECULAR WEIGHT: 322.44724
SMILES: CCCCNC1=NN=C(C2=CC3=CC=CC=C3C=C21)NCCCC
Structure:
CAS RN: 133806-61-8
CAS Name: acetic acid [1-(1'-formyl-4-methoxy-3'-methyl-3,5'-dioxo-5-spiro[benzofuran-2,6'-cyclohexa-1,3-diene]yl)-3-methylbutyl] ester
OPENEYE Name: [1-(1'-formyl-4-methoxy-3'-methyl-3,5'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl)-3-methyl-butyl] acetate
IUPAC Name: [1-(1'-formyl-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl)-3-methylbutyl] acetate
SYSTEMATIC NAME: [1-[1'-methanoyl-4-methoxy-3'-methyl-3,5'-bis(oxidanylidene)spiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methyl-butyl] ethanoate
MOLECULAR FORMULA: C23H24O7
MOLECULAR WEIGHT: 412.43246
SMILES: CC1=CC(=O)C2(C(=C1)C=O)C(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)OC(=O)C
Structure:
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