CAS RN: 141136-84-7
CAS Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-oxobutanoic acid
OPENEYE Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoic acid
IUPAC Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C31H51N9O7
MOLECULAR WEIGHT: 661.79274
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
CAS RN: 84803-65-6
CAS Name: 2-(1-cyclohexa-1,4-dienyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid; N-cyclohexylcyclohexanamine
OPENEYE Name: 2-(tert-butoxycarbonylamino)-2-cyclohexa-1,4-dien-1-yl-acetic acid; N-cyclohexylcyclohexanamine
IUPAC Name: 2-cyclohexa-1,4-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid; N-cyclohexylcyclohexanamine
SYSTEMATIC NAME: 2-cyclohexa-1,4-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid; N-cyclohexylcyclohexanamine
MOLECULAR FORMULA: C25H42N2O4
MOLECULAR WEIGHT: 434.61198
SMILES: CC(C)(C)OC(=O)NC(C1=CCC=CC1)C(=O)O.C1CCC(CC1)NC2CCCCC2
CAS RN: 333754-36-2
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MOLECULAR FORMULA: C46H60FN3O13
MOLECULAR WEIGHT: 881.979303
SMILES: CC1=C2[C@@H]3C([C@@]4(CC[C@@H]5[C@](C4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C
CAS RN: 82493-16-1
CAS Name: tris(7-methyloctyl) borate
OPENEYE Name: tris(7-methyloctyl) borate
IUPAC Name: tris(7-methyloctyl) borate
SYSTEMATIC NAME: tris(7-methyloctyl) borate
MOLECULAR FORMULA: C27H57BO3
MOLECULAR WEIGHT: 440.55068
SMILES: B(OCCCCCCC(C)C)(OCCCCCCC(C)C)OCCCCCCC(C)C
CAS RN: 19467-61-9
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MOLECULAR FORMULA: C32H41N5O5
MOLECULAR WEIGHT: 575.69844
SMILES: CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
CAS RN: 72947-54-7
CAS Name: 5-(dimethylamino)-1-naphthalenecarboxylic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 5-(dimethylamino)naphthalene-1-carboxylate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 5-(dimethylamino)naphthalene-1-carboxylate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 5-(dimethylamino)naphthalene-1-carboxylate
MOLECULAR FORMULA: C23H27N6O14P3
MOLECULAR WEIGHT: 704.413563
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
CAS RN: 107979-57-7
CAS Name: ammonium; (Z)-2-butenedioic acid; 2-propenenitrile; 2-propenoate
OPENEYE Name: ammonium; maleic acid; prop-2-enenitrile; prop-2-enoate
IUPAC Name: azanium; (Z)-but-2-enedioic acid; prop-2-enenitrile; prop-2-enoate
SYSTEMATIC NAME: azanium; (Z)-but-2-enedioic acid; prop-2-enenitrile; prop-2-enoate
MOLECULAR FORMULA: C10H14N2O6
MOLECULAR WEIGHT: 258.22796
SMILES: C=CC#N.C=CC(=O)[O-].C(=C\C(=O)O)\C(=O)O.[NH4+]
CAS RN: 94113-35-6
CAS Name: tetraammonium N,N-bis(phosphonatomethyl)-1-butanamine
OPENEYE Name: tetraammonium N,N-bis(phosphonatomethyl)butan-1-amine
IUPAC Name: tetraazanium N,N-bis(phosphonatomethyl)butan-1-amine
SYSTEMATIC NAME: tetraazanium N,N-bis(phosphonatomethyl)butan-1-amine
MOLECULAR FORMULA: C6H29N5O6P2
MOLECULAR WEIGHT: 329.271882
SMILES: CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
CAS RN: 94202-04-7
CAS Name: tetraammonium N,N-bis(phosphonatomethyl)-1-butanamine
OPENEYE Name: tetraammonium N,N-bis(phosphonatomethyl)butan-1-amine
IUPAC Name: tetraazanium N,N-bis(phosphonatomethyl)butan-1-amine
SYSTEMATIC NAME: tetraazanium N,N-bis(phosphonatomethyl)butan-1-amine
MOLECULAR FORMULA: C6H29N5O6P2
MOLECULAR WEIGHT: 329.271882
SMILES: CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
CAS RN: 83006-54-6
CAS Name: 5-tert-butyl-2-[[4-(4-tert-butyl-2-sulfoanilino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonic acid
OPENEYE Name: 5-tert-butyl-2-[[4-(4-tert-butyl-2-sulfo-anilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid
IUPAC Name: 5-tert-butyl-2-[[4-(4-tert-butyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
SYSTEMATIC NAME: 5-tert-butyl-2-[[4-[(4-tert-butyl-2-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid
MOLECULAR FORMULA: C34H34N2O8S2
MOLECULAR WEIGHT: 662.77236
SMILES: CC(C)(C)C1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C(C)(C)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)O
CAS RN: 85049-94-1
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid O1,O2-bis[(E)-heptadec-8-enyl] ester O3-[2-[3-hydroxy-5-[2-[3-hydroxy-5-octadecoxy-3-[octadecoxy(oxo)methyl]-1,5-dioxopentoxy]propoxy]-3-[octadecoxy(oxo)methyl]-1,5-dioxopentoxy]propyl] ester
OPENEYE Name: O1,O2-bis[(E)-heptadec-8-enyl] O3-[2-[3-hydroxy-5-[2-(3-hydroxy-5-octadecoxy-3-octadecoxycarbonyl-5-oxo-pentanoyl)oxypropoxy]-3-octadecoxycarbonyl-5-oxo-pentanoyl]oxypropyl] 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC Name: 1-O,2-O-bis[(E)-heptadec-8-enyl] 3-O-[2-[3-hydroxy-5-[2-(3-hydroxy-5-octadecoxy-3-octadecoxycarbonyl-5-oxopentanoyl)oxypropoxy]-3-octadecoxycarbonyl-5-oxopentanoyl]oxypropyl] 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: O1,O2-bis[(E)-heptadec-8-enyl] O3-[2-[3-octadecoxycarbonyl-5-[2-(5-octadecoxy-3-octadecoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoyl)oxypropoxy]-3-oxidanyl-5-oxidanylidene-pentanoyl]oxypropyl] 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C112H204O21
MOLECULAR WEIGHT: 1886.80556
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OC(C)COC(=O)CC(CC(=O)OC(C)COC(=O)CC(CC(=O)OCCCCCCC/C=C/CCCCCCCC)(C(=O)OCCCCCCC/C=C/CCCCCCCC)O)(C(=O)OCCCCCCCCCCCCCCCCCC)O)(C(=O)OCCCCCCCCCCCCCCCCCC)O
CAS RN: 135100-64-0
CAS Name: (4R)-3-[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-6-methyl-5-[oxo(propan-2-yloxy)methyl]-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-1-carboxylic acid
OPENEYE Name: (4R)-3-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-5-isopropoxycarbonyl-6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-1-carboxylic acid
IUPAC Name: (4R)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methyl-5-propan-2-yloxycarbonyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-1-carboxylic acid
SYSTEMATIC NAME: (4R)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methyl-5-propan-2-yloxycarbonyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-1-carboxylic acid
MOLECULAR FORMULA: C29H31F4N3O4S
MOLECULAR WEIGHT: 593.632753
SMILES: CC1=C([C@H](N(C(=S)N1C(=O)O)C2CCN(CC2)CC3=CC=C(C=C3)F)C4=CC=CC=C4C(F)(F)F)C(=O)OC(C)C
CAS RN: 135100-65-1
CAS Name: (4R)-3-[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-6-methyl-5-[oxo(propan-2-yloxy)methyl]-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-1-carboxylic acid hydrochloride
OPENEYE Name: (4R)-3-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-5-isopropoxycarbonyl-6-methyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-1-carboxylic acid hydrochloride
IUPAC Name: (4R)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methyl-5-propan-2-yloxycarbonyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-1-carboxylic acid hydrochloride
SYSTEMATIC NAME: (4R)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methyl-5-propan-2-yloxycarbonyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-1-carboxylic acid hydrochloride
MOLECULAR FORMULA: C29H32ClF4N3O4S
MOLECULAR WEIGHT: 630.093693
SMILES: CC1=C([C@H](N(C(=S)N1C(=O)O)C2CCN(CC2)CC3=CC=C(C=C3)F)C4=CC=CC=C4C(F)(F)F)C(=O)OC(C)C.Cl
CAS RN: 94441-95-9
CAS Name: (2S)-2-amino-6-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]hexanoic acid; cyclohexanamine
OPENEYE Name: (2S)-2-amino-6-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]hexanoic acid; cyclohexanamine
IUPAC Name: (2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid; cyclohexanamine
SYSTEMATIC NAME: (2S)-2-azanyl-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid; cyclohexanamine
MOLECULAR FORMULA: C24H38N4O4S
MOLECULAR WEIGHT: 478.64792
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@@H](C(=O)O)N.C1CCC(CC1)N
CAS RN: 94237-07-7
CAS Name: trimethyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl-bis(trimethylsilyloxy)silyl]oxysilane
OPENEYE Name: trimethyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl-bis(trimethylsilyloxy)silyl]oxy-silane
IUPAC Name: trimethyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl-bis(trimethylsilyloxy)silyl]oxysilane
SYSTEMATIC NAME: trimethyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl-bis(trimethylsilyloxy)silyl]oxy-silane
MOLECULAR FORMULA: C17H31F13O3Si4
MOLECULAR WEIGHT: 642.747482
SMILES: C[Si](C)(C)O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(O[Si](C)(C)C)O[Si](C)(C)C
CAS RN: 12042-82-9
CAS Name: aluminum; dicalcium; iron(3+); oxygen(2-)
OPENEYE Name: aluminum dicalcium ferric oxygen(2-)
IUPAC Name: aluminum; dicalcium; iron(3+); oxygen(2-)
SYSTEMATIC NAME: aluminum; dicalcium; iron(3+); oxygen(2-)
MOLECULAR FORMULA: AlCa2FeO5
MOLECULAR WEIGHT: 242.979538
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Ca+2].[Ca+2].[Fe+3]
CAS RN: 12068-35-8
CAS Name: aluminum; dicalcium; iron(3+); oxygen(2-)
OPENEYE Name: aluminum dicalcium ferric oxygen(2-)
IUPAC Name: aluminum; dicalcium; iron(3+); oxygen(2-)
SYSTEMATIC NAME: aluminum; dicalcium; iron(3+); oxygen(2-)
MOLECULAR FORMULA: AlCa2FeO5
MOLECULAR WEIGHT: 242.979538
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Ca+2].[Ca+2].[Fe+3]
CAS RN: 84473-68-7
CAS Name: ethanethioic acid O-[2-(4-methyl-1-cyclohex-3-enyl)propyl] ester
OPENEYE Name: O-[2-(4-methylcyclohex-3-en-1-yl)propyl] ethanethioate
IUPAC Name: O-[2-(4-methylcyclohex-3-en-1-yl)propyl] ethanethioate
SYSTEMATIC NAME: O-[2-(4-methylcyclohex-3-en-1-yl)propyl] ethanethioate
MOLECULAR FORMULA: C12H20OS
MOLECULAR WEIGHT: 212.3516
SMILES: CC1=CCC(CC1)C(C)COC(=S)C
CAS RN: 12396-77-9
CAS Name: niobium(5+); oxygen(2-); thallium(1+)
OPENEYE Name: niobium(5+); oxygen(2-); thallium(1+)
IUPAC Name: niobium(5+); oxygen(2-); thallium(1+)
SYSTEMATIC NAME: niobium(5+); oxygen(2-); thallium(1+)
MOLECULAR FORMULA: NbO3Tl
MOLECULAR WEIGHT: 345.28788
SMILES: [O-2].[O-2].[O-2].[Nb+5].[Tl+]
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