CAS RN: 105483-63-4
CAS Name: disodium (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-4-[[(2S)-1-[[(2S)-2-[[(2S)-3-carboxy-1-oxo-2-(sulfoamino)propyl]amino]-1-oxo-3-(4-sulfonatooxyphenyl)propyl]ami
OPENEYE Name: disodium (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-[[(1S)-1-benzyl-2-[[(2S)-2-[[(2S)-3-carboxy-2-(sulfoamino)propanoyl]amino]-3-(4-sulfonatooxyphenyl)propanoyl]amino]-2-oxo-e
IUPAC Name: disodium (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-2-[[(2S)-3-carboxy-2-(sulfoamino)propanoyl]amino]-3-(4-sulfonatooxyphenyl)propanoyl]amino]-1-oxo-3-phenylpr
SYSTEMATIC NAME: disodium (3S)-3-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-azanylhexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-[[(2S)-2-[[(2S)-4-oxidanyl-4-oxidanylidene-2-(sulfoamino)butanoyl]amino]-3-(4-sul
MOLECULAR FORMULA: C51H64N10Na2O19S2
MOLECULAR WEIGHT: 1231.219
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)[O-])C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)[O-])NC(=O)[C@H](CC(=O)O)NS(=O)(=O)O)N.[Na+].[Na+]
Structure:
CAS RN: 105481-55-8
CAS Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate
OPENEYE Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate
IUPAC Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl hydrogen phosphate
MOLECULAR FORMULA: C51H102NO11P
MOLECULAR WEIGHT: 936.329441
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Structure:
CAS RN: 105450-73-5
CAS Name: 4-methoxybenzoic acid (4-carbamimidoyl-2-nitrophenyl) ester
OPENEYE Name: (4-carbamimidoyl-2-nitro-phenyl) 4-methoxybenzoate
IUPAC Name: (4-carbamimidoyl-2-nitrophenyl) 4-methoxybenzoate
SYSTEMATIC NAME: (4-carbamimidoyl-2-nitro-phenyl) 4-methoxybenzoate
MOLECULAR FORMULA: C15H13N3O5
MOLECULAR WEIGHT: 315.28082
SMILES: COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]
Structure:
CAS RN: 105450-08-6
CAS Name: (3R)-3-benzoyloxy-4-(trimethylammonio)butanoate
OPENEYE Name: (3R)-3-benzoyloxy-4-(trimethylammonio)butanoate
IUPAC Name: (3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: (3R)-3-(phenylcarbonyloxy)-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)C1=CC=CC=C1
Structure:
CAS RN: 120091-14-7
CAS Name: (1S,3S)-1-[[4-hydroxy-3-[4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-ol
OPENEYE Name: (1S,3S)-1-[[4-hydroxy-3-[4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-ol
IUPAC Name: (1S,3S)-1-[[4-hydroxy-3-[4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-ol
SYSTEMATIC NAME: (1S,3S)-6-methoxy-1-[[3-[4-[(6-methoxy-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]-4-oxidanyl-phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-3-ol
MOLECULAR FORMULA: C35H38N2O6
MOLECULAR WEIGHT: 582.68602
SMILES: CN1[C@H](CC2=C([C@@H]1CC3=CC(=C(C=C3)O)OC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5)OC)O)C=CC(=C2)OC)O
Structure:
CAS RN: 120087-00-5
CAS Name: [2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxyethyl]phosphonic acid
OPENEYE Name: [2-(dimethylamino)-1-[(10R,13R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxy-ethyl]phosphonic acid
IUPAC Name: [2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxyethyl]phosphonic acid
SYSTEMATIC NAME: [2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-oxidanyl-ethyl]phosphonic acid
MOLECULAR FORMULA: C31H56NO4P
MOLECULAR WEIGHT: 537.754401
SMILES: C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)C(CN(C)C)(O)P(=O)(O)O)C)C
Structure:
CAS RN: 105444-10-8
CAS Name: (7R,9S)-7-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7R,9S)-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7R,9S)-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7R,9S)-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C26H26O13
MOLECULAR WEIGHT: 546.47684
SMILES: COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@](C[C@H](C4=C3O)O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)(C(=O)CO)O)O
Structure:
CAS RN: 120086-41-1
CAS Name: 1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
OPENEYE Name: 1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: 1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
SYSTEMATIC NAME: 1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
MOLECULAR FORMULA: C11H15N
MOLECULAR WEIGHT: 161.2435
SMILES: CC1CC2=CC=CC=C2C(N1)C
Structure:
CAS RN: 120083-56-9
CAS Name: 2-amino-8-(2,3,4-trihydroxybutyl)-3,7-dihydropurin-6-one
OPENEYE Name: 2-amino-8-(2,3,4-trihydroxybutyl)-3,7-dihydropurin-6-one
IUPAC Name: 2-amino-8-(2,3,4-trihydroxybutyl)-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-azanyl-8-[2,3,4-tris(oxidanyl)butyl]-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C9H13N5O4
MOLECULAR WEIGHT: 255.23062
SMILES: C(C1=NC2=C(N1)C(=O)N=C(N2)N)C(C(CO)O)O
Structure:
CAS RN: 105444-04-0
CAS Name: (7S,9S)-9-acetyl-7-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-9-acetyl-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-9-ethanoyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C26H26O12
MOLECULAR WEIGHT: 530.47744
SMILES: CC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)O
Structure:
CAS RN: 120075-43-6
CAS Name: 6,7-bis(1-aziridinyl)-4-[3-(dimethylamino)propylamino]quinazoline-5,8-dione
OPENEYE Name: 6,7-bis(aziridin-1-yl)-4-[3-(dimethylamino)propylamino]quinazoline-5,8-dione
IUPAC Name: 6,7-bis(aziridin-1-yl)-4-[3-(dimethylamino)propylamino]quinazoline-5,8-dione
SYSTEMATIC NAME: 6,7-bis(aziridin-1-yl)-4-[3-(dimethylamino)propylamino]quinazoline-5,8-dione
MOLECULAR FORMULA: C17H22N6O2
MOLECULAR WEIGHT: 342.39558
SMILES: CN(C)CCCNC1=NC=NC2=C1C(=O)C(=C(C2=O)N3CC3)N4CC4
Structure:
CAS RN: 120051-39-0
CAS Name: (8R,9S,10R,13S)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
OPENEYE Name: (8R,9S,10R,13S)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
IUPAC Name: (8R,9S,10R,13S)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
SYSTEMATIC NAME: (8R,9S,10R,13S)-10,13-dimethyl-14-oxidanyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
MOLECULAR FORMULA: C19H24O4
MOLECULAR WEIGHT: 316.39146
SMILES: C[C@]12CCC(=O)C=C1C(=O)C[C@@H]3[C@@H]2CC[C@]4(C3(CCC4=O)O)C
Structure:
CAS RN: 120040-38-2
CAS Name: 1-methyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]piperazine-2,5-dione
OPENEYE Name: 1-methyl-3-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]piperazine-2,5-dione
IUPAC Name: 1-methyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]piperazine-2,5-dione
SYSTEMATIC NAME: 1-methyl-3-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]piperazine-2,5-dione
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(CC(=O)N2)C)OC
Structure:
CAS RN: 120004-07-1
CAS Name: 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
IUPAC Name: methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
SYSTEMATIC NAME: methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C20H22N2O4S
MOLECULAR WEIGHT: 386.46468
SMILES: CC1=C(C(C2=C(N1)SC=C2CC(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 120003-84-1
CAS Name: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinecarboxylate
OPENEYE Name: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-pyridine-3-carboxylate
IUPAC Name: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylate
SYSTEMATIC NAME: disodium 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C34H32N6Na2O10S2
MOLECULAR WEIGHT: 794.76162
SMILES: CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C(=O)[O-])OC.CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C(=O)[O-])OC.[Na+].[Na+]
Structure:
CAS RN: 119986-67-3
CAS Name: (2S,3S)-2-(3,4-dimethoxyphenyl)-5-oxo-3-oxolanecarboxylic acid methyl ester
OPENEYE Name: methyl (2S,3S)-2-(3,4-dimethoxyphenyl)-5-oxo-tetrahydrofuran-3-carboxylate
IUPAC Name: methyl (2S,3S)-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxylate
SYSTEMATIC NAME: methyl (2S,3S)-2-(3,4-dimethoxyphenyl)-5-oxidanylidene-oxolane-3-carboxylate
MOLECULAR FORMULA: C14H16O6
MOLECULAR WEIGHT: 280.27324
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](CC(=O)O2)C(=O)OC)OC
Structure:
CAS RN: 119980-12-0
CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino
OPENEYE Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-b
IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutano
SYSTEMATIC NAME: (2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]
MOLECULAR FORMULA: C45H82N12O13
MOLECULAR WEIGHT: 999.20518
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 119979-98-5
CAS Name: 1-benzothiophene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid
OPENEYE Name: benzothiophene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid
IUPAC Name: 1-benzothiophene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid
SYSTEMATIC NAME: 1-benzothiophene-2-carboxylic acid; (2S)-2,6-bis(azanyl)hexanoic acid
MOLECULAR FORMULA: C15H20N2O4S
MOLECULAR WEIGHT: 324.3953
SMILES: C1=CC=C2C(=C1)C=C(S2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 119978-03-9
CAS Name: N-cyclohexyl-4-[4-(4-fluorophenyl)-4-oxobutyl]-1-piperazinecarboxamide hydrochloride
OPENEYE Name: N-cyclohexyl-4-[4-(4-fluorophenyl)-4-oxo-butyl]piperazine-1-carboxamide hydrochloride
IUPAC Name: N-cyclohexyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide hydrochloride
SYSTEMATIC NAME: N-cyclohexyl-4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperazine-1-carboxamide hydrochloride
MOLECULAR FORMULA: C21H31ClFN3O2
MOLECULAR WEIGHT: 411.941143
SMILES: C1CCC(CC1)NC(=O)N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F.Cl
Structure:
CAS RN: 119963-50-7
CAS Name: 1,6,6-trimethyl-7H-naphtho[1,2-g]benzofuran-10,11-dione
OPENEYE Name: 1,6,6-trimethyl-7H-naphtho[1,2-g]benzofuran-10,11-dione
IUPAC Name: 1,6,6-trimethyl-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
SYSTEMATIC NAME: 1,6,6-trimethyl-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C
Structure:
CAS RN: 119951-95-0
CAS Name: 1,2,3,4,5-pentafluoro-6-[[(2,3,4,5,6-pentafluorophenyl)methyldisulfanyl]methyl]benzene
OPENEYE Name: 1,2,3,4,5-pentafluoro-6-[[(2,3,4,5,6-pentafluorophenyl)methyldisulfanyl]methyl]benzene
IUPAC Name: 1,2,3,4,5-pentafluoro-6-[[(2,3,4,5,6-pentafluorophenyl)methyldisulfanyl]methyl]benzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(fluoranyl)-6-[[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyldisulfanyl]methyl]benzene
MOLECULAR FORMULA: C14H4F10S2
MOLECULAR WEIGHT: 426.295592
SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)SSCC2=C(C(=C(C(=C2F)F)F)F)F
Structure:
CAS RN: 119940-87-3
CAS Name: 7-(2-amino-6-hexylcyclohexyl)heptanoic acid
OPENEYE Name: 7-(2-amino-6-hexyl-cyclohexyl)heptanoic acid
IUPAC Name: 7-(2-amino-6-hexylcyclohexyl)heptanoic acid
SYSTEMATIC NAME: 7-(2-azanyl-6-hexyl-cyclohexyl)heptanoic acid
MOLECULAR FORMULA: C19H37NO2
MOLECULAR WEIGHT: 311.50258
SMILES: CCCCCCC1CCCC(C1CCCCCCC(=O)O)N
Structure:
CAS RN: 119876-43-6
CAS Name: 3-[[1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)-1-oxopentyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-oxopropanoic acid methyl ester
OPENEYE Name: methyl 3-[[2-[[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]amino]-1,1-dimethyl-2-oxo-ethyl]amino]-3-oxo-propanoate
IUPAC Name: methyl 3-[[1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-oxopropanoate
SYSTEMATIC NAME: methyl 3-[[1-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C20H29N7O7
MOLECULAR WEIGHT: 479.48696
SMILES: CC(C)(C(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC(=O)OC
Structure:
CAS RN: 90301-64-7
CAS Name: 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-bromoethyl)-1-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H15BrN2O5
MOLECULAR WEIGHT: 335.1512
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)CCBr)CO)O
Structure:
CAS RN: 90301-65-8
CAS Name: 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-bromoethyl)-1-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H15BrN2O5
MOLECULAR WEIGHT: 335.1512
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)CCBr)CO)O
Structure:
CAS RN: 90301-61-4
CAS Name: 5-(2-chloroethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(2-chloroethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(2-chloroethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(2-chloroethyl)-1-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H15ClN2O5
MOLECULAR WEIGHT: 290.7002
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)CCCl)CO)O
Structure:
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