CAS RN: 114760-35-9
CAS Name: N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-methoxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
OPENEYE Name: N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-methoxy-2-oxo-ethyl]-7-guanidino-heptanamide
IUPAC Name: N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-methoxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
SYSTEMATIC NAME: N-[(1S)-2-[4-(3-azanylpropylamino)butylamino]-1-methoxy-2-oxidanylidene-ethyl]-7-[bis(azanyl)methylideneamino]heptanamide
MOLECULAR FORMULA: C18H39N7O3
MOLECULAR WEIGHT: 401.54736
SMILES: CO[C@@H](C(=O)NCCCCNCCCN)NC(=O)CCCCCCN=C(N)N
Structure:
CAS RN: 114752-50-0
CAS Name: 2,5,11-trimethyl-6-propyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium acetate
OPENEYE Name: 2,5,11-trimethyl-6-propyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium acetate
IUPAC Name: 2,5,11-trimethyl-6-propyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium acetate
SYSTEMATIC NAME: 2,5,11-trimethyl-6-propyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium ethanoate
MOLECULAR FORMULA: C23H28N2O2
MOLECULAR WEIGHT: 364.48062
SMILES: CCC[NH+]1C2C(=C3C=CN(C=C3C(=C2C4=CC=CC=C41)C)C)C.CC(=O)[O-]
Structure:
CAS RN: 114687-52-4
CAS Name: (4aS,12bR)-4a,8-dihydroxy-3-methyl-4,5,6,12b-tetrahydrobenzo[a]anthracene-1,7,12-trione
OPENEYE Name: (4aS,12bR)-4a,8-dihydroxy-3-methyl-4,5,6,12b-tetrahydrobenzo[a]anthracene-1,7,12-trione
IUPAC Name: (4aS,12bR)-4a,8-dihydroxy-3-methyl-4,5,6,12b-tetrahydrobenzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (4aS,12bR)-3-methyl-4a,8-bis(oxidanyl)-4,5,6,12b-tetrahydrobenzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C19H16O5
MOLECULAR WEIGHT: 324.32734
SMILES: CC1=CC(=O)[C@@H]2C3=C(CC[C@@]2(C1)O)C(=O)C4=C(C3=O)C=CC=C4O
Structure:
CAS RN: 114687-51-3
CAS Name: 1-chloro-8-(3-heptyl-2-oxiranyl)octa-4,6-diyne-2,3-diol
OPENEYE Name: 1-chloro-8-(3-heptyloxiran-2-yl)octa-4,6-diyne-2,3-diol
IUPAC Name: 1-chloro-8-(3-heptyloxiran-2-yl)octa-4,6-diyne-2,3-diol
SYSTEMATIC NAME: 1-chloranyl-8-(3-heptyloxiran-2-yl)octa-4,6-diyne-2,3-diol
MOLECULAR FORMULA: C17H25ClO3
MOLECULAR WEIGHT: 312.8316
SMILES: CCCCCCCC1C(O1)CC#CC#CC(C(CCl)O)O
Structure:
CAS RN: 114661-85-7
CAS Name: 3-[(3-hydroxy-4-methoxy-1-naphthalenyl)oxy]propane-1,2-diol
OPENEYE Name: 3-[(3-hydroxy-4-methoxy-1-naphthyl)oxy]propane-1,2-diol
IUPAC Name: 3-(3-hydroxy-4-methoxynaphthalen-1-yl)oxypropane-1,2-diol
SYSTEMATIC NAME: 3-(4-methoxy-3-oxidanyl-naphthalen-1-yl)oxypropane-1,2-diol
MOLECULAR FORMULA: C14H16O5
MOLECULAR WEIGHT: 264.27384
SMILES: COC1=C(C=C(C2=CC=CC=C21)OCC(CO)O)O
Structure:
CAS RN: 114586-25-3
CAS Name: N-(2',4',5',7'-tetrabromo-3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)hexadecanamide
OPENEYE Name: N-(2',4',5',7'-tetrabromo-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)hexadecanamide
IUPAC Name: N-(2',4',5',7'-tetrabromo-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)hexadecanamide
SYSTEMATIC NAME: N-[2',4',5',7'-tetrakis(bromanyl)-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]hexadecanamide
MOLECULAR FORMULA: C36H39Br4NO6
MOLECULAR WEIGHT: 901.31396
SMILES: CCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C3(C4=CC(=C(C(=C4OC5=C(C(=C(C=C53)Br)O)Br)Br)O)Br)OC2=O
Structure:
CAS RN: 114451-05-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC5=C2C=C[C@@H]([C@H]5O)O)C=C(C=C4)O
Structure:
CAS RN: 114451-04-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC5=C2C=C[C@@H]([C@H]5O)O)C=CC(=C4)O
Structure:
CAS RN: 114376-11-3
CAS Name: 2-(1-piperidinyl)acetic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-6-yl] ester hydrochloride
OPENEYE Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 2-(1-piperidyl)acetate hydrochloride
IUPAC Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 2-piperidin-1-ylacetate hydrochloride
SYSTEMATIC NAME: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-5,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 2-piperidin-1-ylethanoate hydrochloride
MOLECULAR FORMULA: C27H44ClNO7
MOLECULAR WEIGHT: 530.09376
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)CN4CCCCC4)(C)C)O)C)O)C=C.Cl
Structure:
CAS RN: 114326-36-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H20O2
MOLECULAR WEIGHT: 340.4144
SMILES: CC1=C2C=CC3=C(C2=C(C4=C1C=CC5=CC=CC=C54)C)C=C[C@@H]([C@H]3O)O
Structure:
CAS RN: 114282-83-6
CAS Name: 5-nitroso-1,3,5-dithiazinane
OPENEYE Name: 5-nitroso-1,3,5-dithiazinane
IUPAC Name: 5-nitroso-1,3,5-dithiazinane
SYSTEMATIC NAME: 5-nitroso-1,3,5-dithiazinane
MOLECULAR FORMULA: C3H6N2OS2
MOLECULAR WEIGHT: 150.22254
SMILES: C1N(CSCS1)N=O
Structure:
CAS RN: 114248-64-5
CAS Name: (2R,3S,4S,5R,6S)-2-methyl-6-(7H-purin-6-ylthio)oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5R,6S)-2-methyl-6-(7H-purin-6-ylsulfanyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5R,6S)-2-methyl-6-(7H-purin-6-ylsulfanyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-methyl-6-(7H-purin-6-ylsulfanyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NC=NC3=C2NC=N3)O)O)O
Structure:
CAS RN: 114231-14-0
CAS Name: 1-(2-chloro-3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-4-pyridinone
OPENEYE Name: 1-(2-chloro-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one
IUPAC Name: 1-(2-chloro-3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-methyl-6-phenylpyridin-4-one
SYSTEMATIC NAME: 1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one
MOLECULAR FORMULA: C26H21ClFNO3
MOLECULAR WEIGHT: 449.901243
SMILES: CC1=C(N(C(=CC1=O)C2=CC=CC=C2)C3=CC(=CC(=C3Cl)OC)OC)C4=CC=C(C=C4)F
Structure:
CAS RN: 114182-43-3
CAS Name: (3S,5S,9R,10S,13R,17R)-3-hydroxy-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
OPENEYE Name: (3S,5S,9R,10S,13R,17R)-3-hydroxy-17-[(1R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
IUPAC Name: (3S,5S,9R,10S,13R,17R)-3-hydroxy-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
SYSTEMATIC NAME: (3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@H](CCCC(C)CO)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
Structure:
CAS RN: 114132-84-2
CAS Name: (4S,6R)-6-(mercaptomethyl)-2-oxo-1,3-diazinane-4-carboxylic acid
OPENEYE Name: (4S,6R)-2-oxo-6-(sulfanylmethyl)hexahydropyrimidine-4-carboxylic acid
IUPAC Name: (4S,6R)-2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid
SYSTEMATIC NAME: (4S,6R)-2-oxidanylidene-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid
MOLECULAR FORMULA: C6H10N2O3S
MOLECULAR WEIGHT: 190.2202
SMILES: C1[C@@H](NC(=O)N[C@@H]1C(=O)O)CS
Structure:
CAS RN: 114042-03-4
CAS Name: 3-methyl-5-phenyl-2-pyridinamine
OPENEYE Name: 3-methyl-5-phenyl-pyridin-2-amine
IUPAC Name: 3-methyl-5-phenylpyridin-2-amine
SYSTEMATIC NAME: 3-methyl-5-phenyl-pyridin-2-amine
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: CC1=C(N=CC(=C1)C2=CC=CC=C2)N
Structure:
CAS RN: 114029-87-7
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methoxy-3-octadecoxypropoxy)oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methoxy-3-octadecoxy-propoxy)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methoxy-3-octadecoxypropoxy)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methoxy-3-octadecoxy-propoxy)oxane-3,4,5-triol
MOLECULAR FORMULA: C28H56O8
MOLECULAR WEIGHT: 520.73944
SMILES: CCCCCCCCCCCCCCCCCCOCC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
Structure:
CAS RN: 113857-87-7
CAS Name: 2-[[[(4S)-4-carboxy-4-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]butyl]amino]-oxomethyl]benzoic acid
OPENEYE Name: 2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
IUPAC Name: 2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[(4S)-4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C27H27N9O6
MOLECULAR WEIGHT: 573.55998
SMILES: C1=CC=C(C(=C1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O
Structure:
CAS RN: 113611-67-9
CAS Name: (3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-
OPENEYE Name: (3S)-4-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-guanidino-butyl]amino]-3-[[(2S)-2-amino
IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-
SYSTEMATIC NAME: (3S)-4-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-pheny
MOLECULAR FORMULA: C47H72N16O12
MOLECULAR WEIGHT: 1053.17458
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)N
Structure:
CAS RN: 113411-16-8
CAS Name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-pentanone
OPENEYE Name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxy-phenyl)pentan-1-one
IUPAC Name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)-4-methoxy-2,6-bis(oxidanyl)phenyl]pentan-1-one
MOLECULAR FORMULA: C12H14Cl2O4
MOLECULAR WEIGHT: 293.14316
SMILES: CCCCC(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O
Structure:
CAS RN: 113296-07-4
CAS Name: 4-benzo[e][1]benzothiolecarboxylic acid 3-(dimethylamino)propyl ester
OPENEYE Name: 3-(dimethylamino)propyl benzo[e]benzothiophene-4-carboxylate
IUPAC Name: 3-(dimethylamino)propyl benzo[e][1]benzothiole-4-carboxylate
SYSTEMATIC NAME: 3-(dimethylamino)propyl benzo[e][1]benzothiole-4-carboxylate
MOLECULAR FORMULA: C18H19NO2S
MOLECULAR WEIGHT: 313.41396
SMILES: CN(C)CCCOC(=O)C1=CC2=CC=CC=C2C3=C1SC=C3
Structure:
CAS RN: 113201-37-9
CAS Name: [2-(octadecoxymethyl)-2-oxolanyl]methyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-(octadecoxymethyl)tetrahydrofuran-2-yl]methyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-(octadecoxymethyl)oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-(octadecoxymethyl)oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C29H60NO6P
MOLECULAR WEIGHT: 549.763561
SMILES: CCCCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 113137-57-8
CAS Name: (3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1,4-dioxo-4-sulfooxybutyl]amino]-1-oxo-3-phenylpropyl]
OPENEYE Name: (3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxo-4-sulfooxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(tert-buto
IUPAC Name: (3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxo-4-sulfooxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-[(2-methylpr
SYSTEMATIC NAME: (3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-4-sulfooxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3
MOLECULAR FORMULA: C56H74N10O18S
MOLECULAR WEIGHT: 1207.30796
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)OS(=O)(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
Structure:
CAS RN: 112888-26-3
CAS Name: (2S)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-(trifluoromethyl)phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-(trifluoromethyl)benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C26H23F3N4O6
MOLECULAR WEIGHT: 544.47923
SMILES: CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(F)(F)F
Structure:
CAS RN: 112887-79-3
CAS Name: (2S)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C22H22N4O6
MOLECULAR WEIGHT: 438.43328
SMILES: CC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 112820-42-5
CAS Name: sodium 1-[3-[2-[[(5-azido-2-nitrophenyl)-oxomethyl]amino]ethyldisulfanyl]-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonate
OPENEYE Name: sodium 1-[3-[2-[(5-azido-2-nitro-benzoyl)amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonate
IUPAC Name: sodium 1-[3-[2-[(5-azido-2-nitrobenzoyl)amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
SYSTEMATIC NAME: sodium 1-[3-[2-[(5-azido-2-nitro-phenyl)carbonylamino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate
MOLECULAR FORMULA: C16H15N6NaO10S3
MOLECULAR WEIGHT: 570.50927
SMILES: C1C(C(=O)N(C1=O)OC(=O)CCSSCCNC(=O)C2=C(C=CC(=C2)N=[N+]=[N-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 112725-22-1
CAS Name: 3-tributylstannylbenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 3-tributylstannylbenzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-tributylstannylbenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-tributylstannylbenzoate
MOLECULAR FORMULA: C23H35NO4Sn
MOLECULAR WEIGHT: 508.2383
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(=O)ON2C(=O)CCC2=O
Structure:
CAS RN: 112725-15-2
CAS Name: acetic acid [1-[methyl(nitroso)amino]-2-oxopropyl] ester
OPENEYE Name: [1-[methyl(nitroso)amino]-2-oxo-propyl] acetate
IUPAC Name: [1-[methyl(nitroso)amino]-2-oxopropyl] acetate
SYSTEMATIC NAME: [1-[methyl(nitroso)amino]-2-oxidanylidene-propyl] ethanoate
MOLECULAR FORMULA: C6H10N2O4
MOLECULAR WEIGHT: 174.1546
SMILES: CC(=O)C(N(C)N=O)OC(=O)C
Structure:
CAS RN: 112668-45-8
CAS Name: 1-(4-amino-1-imidazo[4,5-c]quinolinyl)-2-methyl-2-propanol
OPENEYE Name: 1-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methyl-propan-2-ol
IUPAC Name: 1-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
SYSTEMATIC NAME: 1-(4-azanylimidazo[4,5-c]quinolin-1-yl)-2-methyl-propan-2-ol
MOLECULAR FORMULA: C14H16N4O
MOLECULAR WEIGHT: 256.30304
SMILES: CC(C)(CN1C=NC2=C1C3=CC=CC=C3N=C2N)O
Structure:
CAS RN: 112654-98-5
CAS Name: 5-amino-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-7-(3-azanylpyrrolidin-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H18F2N4O3
MOLECULAR WEIGHT: 364.346626
SMILES: C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)N)F)C(=O)O
Structure:
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