CAS RN: 98569-62-1
CAS Name: 1-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
OPENEYE Name: 1-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-chromen-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methyl-phenyl]ethanone
IUPAC Name: 1-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
SYSTEMATIC NAME: 1-[3-[[8-ethanoyl-2,2-dimethyl-5,7-bis(oxidanyl)chromen-6-yl]methyl]-4-methoxy-5-methyl-2,6-bis(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C24H26O8
MOLECULAR WEIGHT: 442.45844
SMILES: CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C)OC(C=C3)(C)C)O)OC
Structure:
CAS RN: 6170-06-5
CAS Name: (2R,3R,4R,5S)-6-[2-(4-hydroxy-3-iodophenyl)ethyl-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexyl]amino]-3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexane-1,2,4,5-tetrol
OPENEYE Name: (2R,3R,4R,5S)-6-[2-(4-hydroxy-3-iodo-phenyl)ethyl-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexyl]amino]-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-h
IUPAC Name: (2R,3R,4R,5S)-6-[2-(4-hydroxy-3-iodophenyl)ethyl-[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol
SYSTEMATIC NAME: (2R,3R,4R,5S)-3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexyl]-[2-(3-iodanyl-4-oxidanyl-phenyl)ethyl]amino]hexan
MOLECULAR FORMULA: C32H54INO21
MOLECULAR WEIGHT: 915.66973
SMILES: C1=CC(=C(C=C1CCN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)I)O
Structure:
CAS RN: 97908-43-5
CAS Name: (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[2-(2,5-dioxo-1-pyrrolyl)ethylthio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (2R)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[2-(2,5-dioxopyrrol-1-yl)ethylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[2-(2,5-dioxopyrrol-1-yl)ethylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-5-[[(2R)-3-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethylsulfanyl]-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H22N4O8S
MOLECULAR WEIGHT: 430.43288
SMILES: C1=CC(=O)N(C1=O)CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N
Structure:
CAS RN: 5442-02-4
CAS Name: acetic acid [(4aS,4bR,6R,6aR,10aS,10bR,12aS)-8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] ester
OPENEYE Name: [(4aS,4bR,6R,6aR,10aS,10bR,12aS)-8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
IUPAC Name: [(4aS,4bR,6R,6aR,10aS,10bR,12aS)-8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
SYSTEMATIC NAME: [(4aS,4bR,6R,6aR,10aS,10bR,12aS)-8-methanoyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] ethanoate
MOLECULAR FORMULA: C26H40O3
MOLECULAR WEIGHT: 400.594
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2([C@H]4[C@]1(CC(=CC4)C=O)C)C)(C)C)C
Structure:
CAS RN: 6072-04-4
CAS Name: (4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[[(2S,5S,6S)-5-[[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxo-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]-12b-[[(2S,5S,6S)-5-hydroxy-6-methyl-2-oxanyl]oxy]-3-methyl-2,4-dihydrobenzo[a]anthracene
OPENEYE Name: (4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxo-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]
IUPAC Name: (4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,1
SYSTEMATIC NAME: (4aR,12bS)-3-methyl-9-[(2R,4R,5R,6R)-6-methyl-4-[(2S,5S,6S)-6-methyl-5-[(2S,5R,6R)-6-methyl-5-oxidanyl-4-oxidanylidene-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]-12b-[(2S,5S,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3,4a,8-tris(oxidanyl)-2,4-dihydroben
MOLECULAR FORMULA: C43H54O17
MOLECULAR WEIGHT: 842.87866
SMILES: C[C@H]1[C@H](CC[C@@H](O1)O[C@]23C(=O)CC(C[C@]2(C=CC4=C3C(=O)C5=C(C4=O)C(=C(C=C5)[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7CC[C@@H]([C@@H](O7)C)O[C@H]8CC(=O)[C@@H]([C@H](O8)C)O)O)O)(C)O)O
Structure:
CAS RN: 59-05-2
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H22N8O5
MOLECULAR WEIGHT: 454.43928
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 5973-06-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O5
MOLECULAR WEIGHT: 342.38568
SMILES: C[C@@H]1[C@H](OC2=C([C@H]1O)C3=C(C(=CC(=O)O3)C)C4=C2C=CC(O4)(C)C)C
Structure:
CAS RN: 98449-39-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O5
MOLECULAR WEIGHT: 342.38568
SMILES: C[C@@H]1[C@H](OC2=C([C@H]1O)C3=C(C(=CC(=O)O3)C)C4=C2C=CC(O4)(C)C)C
Structure:
CAS RN: 5440-11-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30O3S
MOLECULAR WEIGHT: 398.5582
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C4CC4C25CCC(=O)O5)[C@@H](CC6=CC(=O)C=C[C@]36C)SC
Structure:
CAS RN: 5840-02-8
CAS Name: (2S,5R,6R)-6-[(2-amino-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester; (2S,5R,6R)-6-(1-azepanylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicycl
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxidanyl
MOLECULAR FORMULA: C43H62N6O11S2
MOLECULAR WEIGHT: 903.11598
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
Structure:
CAS RN: 5435-09-6
CAS Name: 2-[acetyl(nitroso)amino]acetic acid
OPENEYE Name: 2-[acetyl(nitroso)amino]acetic acid
IUPAC Name: 2-[acetyl(nitroso)amino]acetic acid
SYSTEMATIC NAME: 2-[ethanoyl(nitroso)amino]ethanoic acid
MOLECULAR FORMULA: C4H6N2O4
MOLECULAR WEIGHT: 146.10144
SMILES: CC(=O)N(CC(=O)O)N=O
Structure:
CAS RN: 5435-01-8
CAS Name: (2S,3R,4S,5R)-2-(7-amino-5-fluoro-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2S,3R,4S,5R)-2-(7-amino-5-fluoro-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3R,4S,5R)-2-(7-amino-5-fluoro-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-(7-azanyl-5-fluoranyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12FN5O4
MOLECULAR WEIGHT: 285.231783
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=C3C(=NN2)C(=NC(=N3)F)N)O)O)O
Structure:
CAS RN: 5434-11-7
CAS Name: (2S,3R,4S,5R)-2-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2S,3R,4S,5R)-2-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3R,4S,5R)-2-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-[5,7-bis(azanyl)-2H-pyrazolo[4,3-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N6O4
MOLECULAR WEIGHT: 282.25596
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=C3C(=NN2)C(=NC(=N3)N)N)O)O)O
Structure:
CAS RN: 5434-08-2
CAS Name: N-methylcarbamic acid [1-[2-(diethylamino)ethylamino]-9-oxo-4-thioxanthenyl]methyl ester
OPENEYE Name: [1-[2-(diethylamino)ethylamino]-9-oxo-thioxanthen-4-yl]methyl N-methylcarbamate
IUPAC Name: [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [1-[2-(diethylamino)ethylamino]-9-oxidanylidene-thioxanthen-4-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C22H27N3O3S
MOLECULAR WEIGHT: 413.53308
SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)NC)SC3=CC=CC=C3C2=O
Structure:
CAS RN: 5473-09-6
CAS Name: (2S)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitrophenyl)-1-oxopropyl]-N-(2-amino-1-oxoethyl)-N-(1-oxobutyl)-2-pyrrolidinecarboxamide; (4S)-4-amino-5-(4-hydroxyphenyl)-3-oxopentanoic acid
OPENEYE Name: (2S)-N-(2-aminoacetyl)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-butanoyl-pyrrolidine-2-carboxamide; (4S)-4-amino-5-(4-hydroxyphenyl)-3-oxo-pentanoic acid
IUPAC Name: (2S)-N-(2-aminoacetyl)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitrophenyl)propanoyl]-N-butanoylpyrrolidine-2-carboxamide; (4S)-4-amino-5-(4-hydroxyphenyl)-3-oxopentanoic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-azanyl-3-(2-azanyl-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-(2-azanylethanoyl)-N-butanoyl-pyrrolidine-2-carboxamide; (4S)-4-azanyl-5-(4-hydroxyphenyl)-3-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C32H43N7O11S
MOLECULAR WEIGHT: 733.78912
SMILES: CCCC(=O)N(C(=O)CN)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC(=C(C=C2N)[N+](=O)[O-])S(=O)C)N.C1=CC(=CC=C1C[C@@H](C(=O)CC(=O)O)N)O
Structure:
CAS RN: 97753-82-7
CAS Name: (2S,3R,4S,5R,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5R,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-2-[(5-bromanyl-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C14H16BrNO6
MOLECULAR WEIGHT: 374.18394
SMILES: C1=CC2=C(C=C1Br)C(=CN2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 5473-01-8
CAS Name: (2R,4S,5R,6R)-2-[[(2R,3S,4R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-[(2-hydroxy-1-oxoethyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
OPENEYE Name: (2R,4S,5R,6R)-2-[[(2R,3S,4R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2R,4S,5R,6R)-2-[[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S,5R,6R)-2-[[(2R,3S,4R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(2-oxidanylethanoylamino)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C20H31N4O17P
MOLECULAR WEIGHT: 630.450501
SMILES: C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=NC3=O)N)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O
Structure:
CAS RN: 98299-53-7
CAS Name: 3,5-diamino-6-bromo-N-carbamimidoyl-N-methyl-2-pyrazinecarboxamide
OPENEYE Name: 3,5-diamino-6-bromo-N-carbamimidoyl-N-methyl-pyrazine-2-carboxamide
IUPAC Name: 3,5-diamino-6-bromo-N-carbamimidoyl-N-methylpyrazine-2-carboxamide
SYSTEMATIC NAME: 3,5-bis(azanyl)-6-bromanyl-N-carbamimidoyl-N-methyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C7H10BrN7O
MOLECULAR WEIGHT: 288.1046
SMILES: CN(C(=O)C1=C(N=C(C(=N1)Br)N)N)C(=N)N
Structure:
CAS RN: 98299-38-8
CAS Name: 3-(2,2-dimethyl-1-oxopropoxy)-4-(trimethylammonio)butanoate
OPENEYE Name: 3-(2,2-dimethylpropanoyloxy)-4-(trimethylammonio)butanoate
IUPAC Name: 3-(2,2-dimethylpropanoyloxy)-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: 3-(2,2-dimethylpropanoyloxy)-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C12H23NO4
MOLECULAR WEIGHT: 245.31532
SMILES: CC(C)(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Structure:
CAS RN: 146086-81-9
CAS Name: nitric acid [4-[[(2-amino-2-methyl-1-oxopropyl)amino]methyl]cyclohexyl] ester
OPENEYE Name: [4-[[(2-amino-2-methyl-propanoyl)amino]methyl]cyclohexyl] nitrate
IUPAC Name: [4-[[(2-amino-2-methylpropanoyl)amino]methyl]cyclohexyl] nitrate
SYSTEMATIC NAME: [4-[[(2-azanyl-2-methyl-propanoyl)amino]methyl]cyclohexyl] nitrate
MOLECULAR FORMULA: C11H21N3O4
MOLECULAR WEIGHT: 259.30214
SMILES: CC(C)(C(=O)NCC1CCC(CC1)O[N+](=O)[O-])N
Structure:
CAS RN: 146086-80-8
CAS Name: [4-(hydroxyamino)-4-oxobutyl]phosphonic acid
OPENEYE Name: [4-(hydroxyamino)-4-oxo-butyl]phosphonic acid
IUPAC Name: [4-(hydroxyamino)-4-oxobutyl]phosphonic acid
SYSTEMATIC NAME: [4-(oxidanylamino)-4-oxidanylidene-butyl]phosphonic acid
MOLECULAR FORMULA: C4H10NO5P
MOLECULAR WEIGHT: 183.099661
SMILES: C(CC(=O)NO)CP(=O)(O)O
Structure:
CAS RN: 145941-07-7
CAS Name: 2-[(1S,4R,4aS,8R,8aR)-8,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl]-2-propenoic acid
OPENEYE Name: 2-[(1S,4R,4aS,8R,8aR)-8,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
IUPAC Name: 2-[(1S,4R,4aS,8R,8aR)-8,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[(1S,4R,4aS,8R,8aR)-4,7-dimethyl-8,8a-bis(oxidanyl)-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@@H]1CC[C@H]([C@@]2([C@H]1CC=C([C@H]2O)C)O)C(=C)C(=O)O
Structure:
CAS RN: 145937-21-9
CAS Name: 1-(4-hydroxy-3-methoxyphenyl)-3-oxo-5-decanesulfonic acid
OPENEYE Name: 1-(4-hydroxy-3-methoxy-phenyl)-3-oxo-decane-5-sulfonic acid
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid
SYSTEMATIC NAME: 1-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-decane-5-sulfonic acid
MOLECULAR FORMULA: C17H26O6S
MOLECULAR WEIGHT: 358.44974
SMILES: CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)S(=O)(=O)O
Structure:
CAS RN: 145888-84-2
CAS Name: (3S,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
OPENEYE Name: (3S,5S)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)heptane-3,5-diol
IUPAC Name: (3S,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
SYSTEMATIC NAME: (3S,5S)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-7-(3-methoxy-4-oxidanyl-phenyl)heptane-3,5-diol
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: COC1=CC(=CC(=C1O)OC)CC[C@@H](C[C@H](CCC2=CC(=C(C=C2)O)OC)O)O
Structure:
CAS RN: 145832-36-6
CAS Name: [2-(acetyloxymethyl)phenyl]methyl-trimethylammonium iodide
OPENEYE Name: [2-(acetoxymethyl)phenyl]methyl-trimethyl-ammonium iodide
IUPAC Name: [2-(acetyloxymethyl)phenyl]methyl-trimethylazanium iodide
SYSTEMATIC NAME: [2-(acetyloxymethyl)phenyl]methyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C13H20INO2
MOLECULAR WEIGHT: 349.20787
SMILES: CC(=O)OCC1=CC=CC=C1C[N+](C)(C)C.[I-]
Structure:
CAS RN: 145832-35-5
CAS Name: [3-(acetyloxymethyl)phenyl]methyl-trimethylammonium iodide
OPENEYE Name: [3-(acetoxymethyl)phenyl]methyl-trimethyl-ammonium iodide
IUPAC Name: [3-(acetyloxymethyl)phenyl]methyl-trimethylazanium iodide
SYSTEMATIC NAME: [3-(acetyloxymethyl)phenyl]methyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C13H20INO2
MOLECULAR WEIGHT: 349.20787
SMILES: CC(=O)OCC1=CC=CC(=C1)C[N+](C)(C)C.[I-]
Structure:
CAS RN: 145832-34-4
CAS Name: [4-(acetyloxymethyl)phenyl]methyl-trimethylammonium iodide
OPENEYE Name: [4-(acetoxymethyl)phenyl]methyl-trimethyl-ammonium iodide
IUPAC Name: [4-(acetyloxymethyl)phenyl]methyl-trimethylazanium iodide
SYSTEMATIC NAME: [4-(acetyloxymethyl)phenyl]methyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C13H20INO2
MOLECULAR WEIGHT: 349.20787
SMILES: CC(=O)OCC1=CC=C(C=C1)C[N+](C)(C)C.[I-]
Structure:
CAS RN: 145775-14-0
CAS Name: (2S)-2-[[2-(mercaptomethyl)-3-(2-methylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid
OPENEYE Name: (2S)-4-methylsulfanyl-2-[[2-(o-tolylmethyl)-3-sulfanyl-propanoyl]amino]butanoic acid
IUPAC Name: (2S)-2-[[2-[(2-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[2-[(2-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid
MOLECULAR FORMULA: C16H23NO3S2
MOLECULAR WEIGHT: 341.48872
SMILES: CC1=CC=CC=C1CC(CS)C(=O)N[C@@H](CCSC)C(=O)O
Structure:
CAS RN: 145763-32-2
CAS Name: (3R)-3,6-diaminohexanamide
OPENEYE Name: (3R)-3,6-diaminohexanamide
IUPAC Name: (3R)-3,6-diaminohexanamide
SYSTEMATIC NAME: (3R)-3,6-bis(azanyl)hexanamide
MOLECULAR FORMULA: C6H15N3O
MOLECULAR WEIGHT: 145.2028
SMILES: C(C[C@H](CC(=O)N)N)CN
Structure:
CAS RN: 145730-12-7
CAS Name: 4,4-dimethyl-2-(3-methylphenyl)-2-morpholin-4-iumol bromide
OPENEYE Name: 4,4-dimethyl-2-(m-tolyl)morpholin-4-ium-2-ol bromide
IUPAC Name: 4,4-dimethyl-2-(3-methylphenyl)morpholin-4-ium-2-ol bromide
SYSTEMATIC NAME: 4,4-dimethyl-2-(3-methylphenyl)morpholin-4-ium-2-ol bromide
MOLECULAR FORMULA: C13H20BrNO2
MOLECULAR WEIGHT: 302.2074
SMILES: CC1=CC=CC(=C1)C2(C[N+](CCO2)(C)C)O.[Br-]
Structure:
CAS RN: 145621-07-4
CAS Name: (2R,3R,4S,5R,6S)-5-[[(2S,3S,4R,5S,6R)-3-azido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-methyloxane-2,3,4-triol
OPENEYE Name: (2R,3R,4S,5R,6S)-5-[(2S,3S,4R,5S,6R)-3-azido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2,3,4-triol
IUPAC Name: (2R,3R,4S,5R,6S)-5-[(2S,3S,4R,5S,6R)-3-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methyloxane-2,3,4-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6S)-5-[(2S,3S,4R,5S,6R)-3-azido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-oxane-2,3,4-triol
MOLECULAR FORMULA: C12H21N3O9
MOLECULAR WEIGHT: 351.30984
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N=[N+]=[N-]
Structure:
CAS RN: 145551-68-4
CAS Name: 1-[(3S,3aS,5aR,7R,9aR,9bS)-7-(2-hydroxyethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]ethanone
OPENEYE Name: 1-[(3S,3aS,5aR,7R,9aR,9bS)-7-(2-hydroxyethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]ethanone
IUPAC Name: 1-[(3S,3aS,5aR,7R,9aR,9bS)-7-(2-hydroxyethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,3aS,5aR,7R,9aR,9bS)-7-(2-hydroxyethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]ethanone
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H](C3)CCO)C
Structure:
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