CAS RN: 792969-69-8
CAS Name: (2R,5S)-2,5-dimethyl-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
IUPAC Name: tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: C[C@@H]1CN[C@H](CN1C(=O)OC(C)(C)C)C
Structure:
CAS RN: 532967-21-8
CAS Name: 2,6-difluoro-4-hydroxybenzaldehyde
OPENEYE Name: 2,6-difluoro-4-hydroxy-benzaldehyde
IUPAC Name: 2,6-difluoro-4-hydroxybenzaldehyde
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H4F2O2
MOLECULAR WEIGHT: 158.102266
SMILES: C1=C(C=C(C(=C1F)C=O)F)O
Structure:
CAS RN: 163457-23-6
CAS Name: 3,3-difluoropyrrolidine hydrochloride
OPENEYE Name: 3,3-difluoropyrrolidine hydrochloride
IUPAC Name: 3,3-difluoropyrrolidine hydrochloride
SYSTEMATIC NAME: 3,3-bis(fluoranyl)pyrrolidine hydrochloride
MOLECULAR FORMULA: C4H8ClF2N
MOLECULAR WEIGHT: 143.562826
SMILES: C1CNCC1(F)F.Cl
Structure:
CAS RN: 951677-47-7
CAS Name: (2-chloro-5-fluoro-4-pyridinyl)boronic acid
OPENEYE Name: (2-chloro-5-fluoro-4-pyridyl)boronic acid
IUPAC Name: (2-chloro-5-fluoropyridin-4-yl)boronic acid
SYSTEMATIC NAME: (2-chloranyl-5-fluoranyl-pyridin-4-yl)boronic acid
MOLECULAR FORMULA: C5H4BClFNO2
MOLECULAR WEIGHT: 175.353163
SMILES: B(C1=CC(=NC=C1F)Cl)(O)O
Structure:
CAS RN: 1072946-66-7
CAS Name: (6-chloro-5-fluoro-3-pyridinyl)boronic acid
OPENEYE Name: (6-chloro-5-fluoro-3-pyridyl)boronic acid
IUPAC Name: (6-chloro-5-fluoropyridin-3-yl)boronic acid
SYSTEMATIC NAME: (6-chloranyl-5-fluoranyl-pyridin-3-yl)boronic acid
MOLECULAR FORMULA: C5H4BClFNO2
MOLECULAR WEIGHT: 175.353163
SMILES: B(C1=CC(=C(N=C1)Cl)F)(O)O
Structure:
CAS RN: 1422-07-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22ClNO3
MOLECULAR WEIGHT: 335.82518
SMILES: C[NH+]1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.[Cl-]
Structure:
CAS RN: 14613-30-0
CAS Name: magnesium 2-(4-chlorophenoxy)-2-methylpropanoate
OPENEYE Name: magnesium 2-(4-chlorophenoxy)-2-methyl-propanoate
IUPAC Name: magnesium 2-(4-chlorophenoxy)-2-methylpropanoate
SYSTEMATIC NAME: magnesium 2-(4-chloranylphenoxy)-2-methyl-propanoate
MOLECULAR FORMULA: C20H20Cl2MgO6
MOLECULAR WEIGHT: 451.5802
SMILES: CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.[Mg+2]
Structure:
CAS RN: 861959-57-1
CAS Name: (3Z)-3-(2-chloro-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; citric acid
IUPAC Name: (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: (3Z)-3-(2-chloranylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C24H26ClNO7S
MOLECULAR WEIGHT: 507.98374
SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 58889-16-0
CAS Name: acetic acid; (3Z)-3-(2-chloro-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine
OPENEYE Name: acetic acid; (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine
IUPAC Name: acetic acid; (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: (3Z)-3-(2-chloranylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; ethanoic acid
MOLECULAR FORMULA: C20H22ClNO2S
MOLECULAR WEIGHT: 375.91218
SMILES: CC(=O)O.CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
Structure:
CAS RN: 58994-55-1
CAS Name: (3-amino-3-carboxypropyl)-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-methylsulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid
OPENEYE Name: (3-amino-3-carboxy-propyl)-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid
IUPAC Name: (3-amino-3-carboxypropyl)-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid
SYSTEMATIC NAME: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-sulfanium; hydrogen sulfate; 4-methylbenzenesulfonic acid; sulfuric acid
MOLECULAR FORMULA: C29H42N6O19S5
MOLECULAR WEIGHT: 938.99758
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C[S+](CCC(C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.OS(=O)(=O)O.OS(=O)(=O)[O-]
Structure:
CAS RN: 84824-86-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26ClNO4
MOLECULAR WEIGHT: 379.87774
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C.Cl
Structure:
CAS RN: 69365-73-7
CAS Name: dicalcium 2-[(N-anilinoanilino)-oxomethyl]hexanoate hydrate
OPENEYE Name: dicalcium 2-[anilino(phenyl)carbamoyl]hexanoate hydrate
IUPAC Name: dicalcium 2-[anilino(phenyl)carbamoyl]hexanoate hydrate
SYSTEMATIC NAME: dicalcium 2-[phenyl(phenylazanyl)carbamoyl]hexanoate hydrate
MOLECULAR FORMULA: C76H86Ca2N8O13
MOLECULAR WEIGHT: 1399.69784
SMILES: CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].O.[Ca+2].[Ca+2]
Structure:
CAS RN: 81919-14-4
CAS Name: (2S)-2,6-diammoniohexanoate; 2-[[1-(phenylmethyl)-3-indazolyl]oxy]acetate
OPENEYE Name: 2-(1-benzylindazol-3-yl)oxyacetate; (2S)-2,6-bis(azaniumyl)hexanoate
IUPAC Name: 2-(1-benzylindazol-3-yl)oxyacetate; (2S)-2,6-bis(azaniumyl)hexanoate
SYSTEMATIC NAME: (2S)-2,6-bis(azaniumyl)hexanoate; 2-[1-(phenylmethyl)indazol-3-yl]oxyethanoate
MOLECULAR FORMULA: C22H28N4O5
MOLECULAR WEIGHT: 428.48152
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)[O-].C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 35334-12-4
CAS Name: sodium (2S,6R)-6-[[(2R)-2-azido-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
OPENEYE Name: sodium (2S,6R)-6-[[(2R)-2-azido-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC Name: sodium (2S,6R)-6-[[(2R)-2-azido-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S,6R)-6-[[(2R)-2-azido-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C16H16N5NaO4S
MOLECULAR WEIGHT: 397.38411
SMILES: CC1([C@@H](N2C(S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N=[N+]=[N-])C(=O)[O-])C.[Na+]
Structure:
CAS RN: 17243-38-8
CAS Name: (2S,6R)-6-[[(2R)-2-azido-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,6R)-6-[[(2R)-2-azido-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,6R)-6-[[(2R)-2-azido-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,6R)-6-[[(2R)-2-azido-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C16H17N5O4S
MOLECULAR WEIGHT: 375.40228
SMILES: CC1([C@@H](N2C(S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N=[N+]=[N-])C(=O)O)C
Structure:
CAS RN: 3397-23-7
CAS Name: (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[[(4R,7S,10S,13R,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazac
OPENEYE Name: (2S)-1-[(4R,7S,10S,13R,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S)-4-amino-1-[(2-amino-2-oxo-ethyl)carbamo
IUPAC Name: (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13R,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosa
SYSTEMATIC NAME: (2S)-N-[(2S)-5-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[[(4R,7S,10S,13R,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(o
MOLECULAR FORMULA: C45H63N13O12S2
MOLECULAR WEIGHT: 1042.19162
SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N
Structure:
CAS RN: 7685-23-6
CAS Name: formic acid [(2R,3R,4S,6R)-3-[[(2S,4S,5R,6R)-5-[[(2S,4S,5R,6R)-4,5-diformyloxy-6-methyl-2-oxanyl]oxy]-4-formyloxy-6-methyl-2-oxanyl]oxy]-6-[[(8R,9S,10S,13R,14R,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,1
OPENEYE Name: [(2R,3R,4S,6R)-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-4,5-diformyloxy-6-methyl-tetrahydropyran-2-yl]oxy-4-formyloxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(8R,9S,10S,13R,14R,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,
IUPAC Name: [(2R,3R,4S,6R)-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-4,5-diformyloxy-6-methyloxan-2-yl]oxy-4-formyloxy-6-methyloxan-2-yl]oxy-6-[[(8R,9S,10S,13R,14R,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetra
SYSTEMATIC NAME: [(2R,3R,4S,6R)-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dimethanoyloxy-6-methyl-oxan-2-yl]oxy-4-methanoyloxy-6-methyl-oxan-2-yl]oxy-6-[[(8R,9S,10S,13R,14R,16S,17R)-16-methanoyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,
MOLECULAR FORMULA: C46H64O19
MOLECULAR WEIGHT: 920.98896
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC=O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC=O)OC4CC[C@@]5([C@H]6CC[C@@]7([C@H]([C@H](C[C@]7([C@@H]6CCC5C4)O)OC=O)C8=CC(=O)OC8)C)C)C)C)OC=O)OC=O
Structure:
CAS RN: 53716-44-2
CAS Name: (1S,2S)-2-cyclohexyl-2-hydroxy-1-cyclohexanecarboxylic acid 1-(diethylamino)propan-2-yl ester
OPENEYE Name: [2-(diethylamino)-1-methyl-ethyl] (1S,2S)-2-cyclohexyl-2-hydroxy-cyclohexanecarboxylate
IUPAC Name: 1-(diethylamino)propan-2-yl (1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate
SYSTEMATIC NAME: 1-(diethylamino)propan-2-yl (1S,2S)-2-cyclohexyl-2-oxidanyl-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C20H37NO3
MOLECULAR WEIGHT: 339.51268
SMILES: CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@@]1(C2CCCCC2)O
Structure:
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