CAS RN: 82146-06-3
CAS Name: (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol; propane-1,2,3-triol
OPENEYE Name: glycerol; (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
IUPAC Name: (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol; propane-1,2,3-triol
SYSTEMATIC NAME: (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol; propane-1,2,3-triol
MOLECULAR FORMULA: C9H22O9
MOLECULAR WEIGHT: 274.26558
SMILES: C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O.C(C(CO)O)O
Structure:
CAS RN: 142525-10-8
CAS Name: (4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[[(1S)-5-amino-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carboxy-2-hydroxy-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pen
MOLECULAR FORMULA: C25H46N6O9
MOLECULAR WEIGHT: 574.66754
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 142523-38-4
CAS Name: [1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid
OPENEYE Name: [1-(4-hydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid
IUPAC Name: [1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid
SYSTEMATIC NAME: [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
MOLECULAR FORMULA: C8H12O8P2
MOLECULAR WEIGHT: 298.123602
SMILES: CC(OC1=CC=C(C=C1)O)(P(=O)(O)O)P(=O)(O)O
Structure:
CAS RN: 77550-86-8
CAS Name: (5R,6S)-3-(2-aminoethylthio)-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6S)-3-(2-aminoethylsulfanyl)-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6S)-3-(2-aminoethylsulfanyl)-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6S)-3-(2-azanylethylsulfanyl)-6-(hydroxymethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C10H14N2O4S
MOLECULAR WEIGHT: 258.29416
SMILES: C1[C@@H]2[C@H](C(=O)N2C(=C1SCCN)C(=O)O)CO
Structure:
CAS RN: 82045-66-7
CAS Name: (5R,6S)-3-(2-aminoethylthio)-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6S)-3-(2-aminoethylsulfanyl)-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6S)-3-(2-aminoethylsulfanyl)-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6S)-3-(2-azanylethylsulfanyl)-6-(hydroxymethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C10H14N2O4S
MOLECULAR WEIGHT: 258.29416
SMILES: C1[C@@H]2[C@H](C(=O)N2C(=C1SCCN)C(=O)O)CO
Structure:
CAS RN: 142515-44-4
CAS Name: 2-(3,4-dichlorophenyl)-N-[(1R,2R)-5-methoxy-2-(1-pyrrolidinyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
OPENEYE Name: 2-(3,4-dichlorophenyl)-N-[(1R,2R)-5-methoxy-2-pyrrolidin-1-yl-tetralin-1-yl]-N-methyl-acetamide
IUPAC Name: 2-(3,4-dichlorophenyl)-N-[(1R,2R)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-N-[(1R,2R)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-ethanamide
MOLECULAR FORMULA: C24H28Cl2N2O2
MOLECULAR WEIGHT: 447.39732
SMILES: CN([C@H]1[C@@H](CCC2=C1C=CC=C2OC)N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 82040-44-6
CAS Name: (6R,7R)-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[[1-(phenylmethyl)-4-pyridin-1-iumyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-[[1-(phenylmethyl)pyridin-1-ium-4-yl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C22H21N7O3S2
MOLECULAR WEIGHT: 495.57724
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC4=CC=[N+](C=C4)CC5=CC=CC=C5)SC2)C(=O)[O-]
Structure:
CAS RN: 142478-50-0
CAS Name: (6R,7R)-3-[[[4-[bis(2-chloroethyl)amino]anilino]-oxomethoxy]methyl]-7-[(4-carboxy-1-oxobutyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-8-oxidanylidene-7-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C24H28Cl2N4O8S
MOLECULAR WEIGHT: 603.47212
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(=O)O)C(=O)O)COC(=O)NC3=CC=C(C=C3)N(CCCl)CCCl
Structure:
CAS RN: 142472-57-9
CAS Name: 1-(4-iodophenyl)-3-(4-phenyl-1-piperidinyl)-2-propanol
OPENEYE Name: 1-(4-iodophenyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
IUPAC Name: 1-(4-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(4-iodophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
MOLECULAR FORMULA: C20H24INO
MOLECULAR WEIGHT: 421.31513
SMILES: C1CN(CCC1C2=CC=CC=C2)CC(CC3=CC=C(C=C3)I)O
Structure:
CAS RN: 77472-70-9
CAS Name: 2-(2-oxo-4-phenyl-1-pyrrolidinyl)acetamide
OPENEYE Name: 2-(2-oxo-4-phenyl-pyrrolidin-1-yl)acetamide
IUPAC Name: 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SYSTEMATIC NAME: 2-(2-oxidanylidene-4-phenyl-pyrrolidin-1-yl)ethanamide
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2
Structure:
CAS RN: 142457-58-7
CAS Name: trisodium [[3,5-bis[[methoxy(oxido)phosphoryl]oxy-oxomethyl]phenyl]-oxomethyl] methyl phosphate
OPENEYE Name: trisodium [3,5-bis[[methoxy(oxido)phosphoryl]oxycarbonyl]benzoyl] methyl phosphate
IUPAC Name: trisodium [3,5-bis[[methoxy(oxido)phosphoryl]oxycarbonyl]benzoyl] methyl phosphate
SYSTEMATIC NAME: trisodium [3,5-bis[[methoxy(oxidanidyl)phosphoryl]oxycarbonyl]phenyl]carbonyl methyl phosphate
MOLECULAR FORMULA: C12H12Na3O15P3
MOLECULAR WEIGHT: 558.105273
SMILES: COP(=O)([O-])OC(=O)C1=CC(=CC(=C1)C(=O)OP(=O)([O-])OC)C(=O)OP(=O)([O-])OC.[Na+].[Na+].[Na+]
Structure:
CAS RN: 142453-08-5
CAS Name: (2S)-2-[[2-(2,5-dioxo-1-pyrrolidinyl)-1-oxoethyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[tert-butoxycarbonyl-[(2S)-pyrrolidine-2-carbonyl]amino]-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]propanoate
IUPAC Name: methyl (2S)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pyrrolidine-2-carbonyl]amino]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethanoyl-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pyrrolidin-2-yl]carbonyl-amino]amino]propanoate
MOLECULAR FORMULA: C20H30N4O8
MOLECULAR WEIGHT: 454.4742
SMILES: C[C@@H](C(=O)OC)N(C(=O)CN1C(=O)CCC1=O)N(C(=O)[C@@H]2CCCN2)C(=O)OC(C)(C)C
Structure:
CAS RN: 81924-86-9
CAS Name: 1-[2-(4-ethyl-2,3-dioxo-1-piperazinyl)ethyl]-3-methylurea
OPENEYE Name: 1-[2-(4-ethyl-2,3-dioxo-piperazin-1-yl)ethyl]-3-methyl-urea
IUPAC Name: 1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)ethyl]-3-methylurea
SYSTEMATIC NAME: 1-[2-[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]ethyl]-3-methyl-urea
MOLECULAR FORMULA: C10H18N4O3
MOLECULAR WEIGHT: 242.27492
SMILES: CCN1CCN(C(=O)C1=O)CCNC(=O)NC
Structure:
CAS RN: 81851-71-0
CAS Name: (3R)-7-bromo-3,6-dimethyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
OPENEYE Name: (3R)-7-bromo-3,6-dimethyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
IUPAC Name: (3R)-7-bromo-3,6-dimethyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
SYSTEMATIC NAME: (3R)-7-bromanyl-3,6-dimethyl-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
MOLECULAR FORMULA: C12H12BrN3O
MOLECULAR WEIGHT: 294.14718
SMILES: C[C@@H]1C(=O)N=C2N1CC3=C(N2)C=CC(=C3C)Br
Structure:
CAS RN: 142449-78-3
CAS Name: 7,9-dibromo-N-[3-[2,6-dibromo-4-[1-hydroxy-2-(methylamino)ethyl]phenoxy]propyl]-1-hydroxy-8-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide
OPENEYE Name: 7,9-dibromo-N-[3-[2,6-dibromo-4-[1-hydroxy-2-(methylamino)ethyl]phenoxy]propyl]-1-hydroxy-8-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide
IUPAC Name: 7,9-dibromo-N-[3-[2,6-dibromo-4-[1-hydroxy-2-(methylamino)ethyl]phenoxy]propyl]-1-hydroxy-8-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide
SYSTEMATIC NAME: N-[3-[2,6-bis(bromanyl)-4-[2-(methylamino)-1-oxidanyl-ethyl]phenoxy]propyl]-7,9-bis(bromanyl)-8-methoxy-1-oxidanyl-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide
MOLECULAR FORMULA: C22H25Br4N3O7
MOLECULAR WEIGHT: 763.0658
SMILES: CNCC(C1=CC(=C(C(=C1)Br)OCCCNC(=O)C2=NOC3(C2O)CC(=C(C(=CO3)Br)OC)Br)Br)O
Structure:
CAS RN: 142439-86-9
CAS Name: (3S,6R)-6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyl-1-octene
OPENEYE Name: (3S,6R)-6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyl-oct-1-ene
IUPAC Name: (3S,6R)-6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene
SYSTEMATIC NAME: (3S,6R)-6-bromanyl-3-(bromomethyl)-2,3,7-tris(chloranyl)-7-methyl-oct-1-ene
MOLECULAR FORMULA: C10H15Br2Cl3
MOLECULAR WEIGHT: 401.3931
SMILES: CC(C)([C@@H](CC[C@@](CBr)(C(=C)Cl)Cl)Br)Cl
Structure:
CAS RN: 142439-63-2
CAS Name: 5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitrobenzamide
OPENEYE Name: 5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitro-benzamide
IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitrobenzamide
SYSTEMATIC NAME: 5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitro-benzamide
MOLECULAR FORMULA: C15H21Cl2N5O5
MOLECULAR WEIGHT: 422.26374
SMILES: CN(C)CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl
Structure:
CAS RN: 142431-38-7
CAS Name: 6-[3-(dimethylamino)propyl]pteridine-2,4,7-triamine
OPENEYE Name: 6-[3-(dimethylamino)propyl]pteridine-2,4,7-triamine
IUPAC Name: 6-[3-(dimethylamino)propyl]pteridine-2,4,7-triamine
SYSTEMATIC NAME: 6-[3-(dimethylamino)propyl]pteridine-2,4,7-triamine
MOLECULAR FORMULA: C11H18N8
MOLECULAR WEIGHT: 262.31422
SMILES: CN(C)CCCC1=NC2=C(N=C1N)N=C(N=C2N)N
Structure:
CAS RN: 142431-37-6
CAS Name: 6-[2-(dimethylamino)ethyl]pteridine-2,4,7-triamine
OPENEYE Name: 6-[2-(dimethylamino)ethyl]pteridine-2,4,7-triamine
IUPAC Name: 6-[2-(dimethylamino)ethyl]pteridine-2,4,7-triamine
SYSTEMATIC NAME: 6-[2-(dimethylamino)ethyl]pteridine-2,4,7-triamine
MOLECULAR FORMULA: C10H16N8
MOLECULAR WEIGHT: 248.28764
SMILES: CN(C)CCC1=NC2=C(N=C1N)N=C(N=C2N)N
Structure:
CAS RN: 142431-36-5
CAS Name: 6-[(dimethylamino)methyl]pteridine-2,4,7-triamine
OPENEYE Name: 6-[(dimethylamino)methyl]pteridine-2,4,7-triamine
IUPAC Name: 6-[(dimethylamino)methyl]pteridine-2,4,7-triamine
SYSTEMATIC NAME: 6-[(dimethylamino)methyl]pteridine-2,4,7-triamine
MOLECULAR FORMULA: C9H14N8
MOLECULAR WEIGHT: 234.26106
SMILES: CN(C)CC1=NC2=C(N=C1N)N=C(N=C2N)N
Structure:
CAS RN: 142422-79-5
CAS Name: 2,2-dimethyl-7-[3-(3-phenylpropyl)-2-thiophenyl]heptanoic acid
OPENEYE Name: 2,2-dimethyl-7-[3-(3-phenylpropyl)-2-thienyl]heptanoic acid
IUPAC Name: 2,2-dimethyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
SYSTEMATIC NAME: 2,2-dimethyl-7-[3-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
MOLECULAR FORMULA: C22H30O2S
MOLECULAR WEIGHT: 358.5374
SMILES: CC(C)(CCCCCC1=C(C=CS1)CCCC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 142383-42-4
CAS Name: 2-methylpropanoic acid [(1S,2R,3S,4R)-1-acetyloxy-5-cyano-3,7-dihydroxy-3-methyl-4-(2-methyl-1-oxopropoxy)-6,11-dioxo-2,4-dihydro-1H-benzo[b]carbazol-2-yl] ester
OPENEYE Name: [(1S,2R,3S,4R)-1-acetoxy-5-cyano-3,7-dihydroxy-3-methyl-4-(2-methylpropanoyloxy)-6,11-dioxo-2,4-dihydro-1H-benzo[b]carbazol-2-yl] 2-methylpropanoate
IUPAC Name: [(1S,2R,3S,4R)-1-acetyloxy-5-cyano-3,7-dihydroxy-3-methyl-4-(2-methylpropanoyloxy)-6,11-dioxo-2,4-dihydro-1H-benzo[b]carbazol-2-yl] 2-methylpropanoate
SYSTEMATIC NAME: [(1S,2R,3S,4R)-1-acetyloxy-5-cyano-3-methyl-4-(2-methylpropanoyloxy)-3,7-bis(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-benzo[b]carbazol-2-yl] 2-methylpropanoate
MOLECULAR FORMULA: C28H28N2O10
MOLECULAR WEIGHT: 552.52932
SMILES: CC(C)C(=O)O[C@@H]1[C@H](C2=C([C@H]([C@]1(C)O)OC(=O)C(C)C)N(C3=C2C(=O)C4=C(C3=O)C(=CC=C4)O)C#N)OC(=O)C
Structure:
CAS RN: 142382-45-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C83H152O33
MOLECULAR WEIGHT: 1678.07518
SMILES: CC(CCCCCC(CCCCCCCCCCCCCC1CC(=O)OCC2C(C(C(C(O2)OC(CC(=O)OCC3C(C(C(C(O1)O3)O)O)O)CCCCCCCCCCCCCCCC(CCCCCC(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)OC)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)OC)O
Structure:
CAS RN: 142382-42-1
CAS Name: 4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
OPENEYE Name: 4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
IUPAC Name: 4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SYSTEMATIC NAME: 4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
MOLECULAR FORMULA: C20H16N4O2
MOLECULAR WEIGHT: 344.36664
SMILES: C1C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1)CC4=CNC5=CC=CC=C54
Structure:
CAS RN: 131796-63-9
CAS Name: (5S)-8-chloro-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
OPENEYE Name: (5S)-8-chloro-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
IUPAC Name: (5S)-8-chloro-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SYSTEMATIC NAME: (5S)-8-chloranyl-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
MOLECULAR FORMULA: C19H20ClNO2
MOLECULAR WEIGHT: 329.8206
SMILES: CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC4=C3OCC4)O)Cl
Structure:
CAS RN: 142382-09-0
CAS Name: acetic acid; (5S)-8-chloro-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
OPENEYE Name: acetic acid; (5S)-8-chloro-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
IUPAC Name: acetic acid; (5S)-8-chloro-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SYSTEMATIC NAME: (5S)-8-chloranyl-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol; ethanoic acid
MOLECULAR FORMULA: C21H24ClNO4
MOLECULAR WEIGHT: 389.87256
SMILES: CC(=O)O.CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC4=C3OCC4)O)Cl
Structure:
CAS RN: 142353-11-5
CAS Name: (2S)-2-acetamido-4-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]thio]butanoic acid
OPENEYE Name: (2S)-2-acetamido-4-[2-(N-isopropylanilino)-2-oxo-ethyl]sulfanyl-butanoic acid
IUPAC Name: (2S)-2-acetamido-4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-2-acetamido-4-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-butanoic acid
MOLECULAR FORMULA: C17H24N2O4S
MOLECULAR WEIGHT: 352.44846
SMILES: CC(C)N(C1=CC=CC=C1)C(=O)CSCC[C@@H](C(=O)O)NC(=O)C
Structure:
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