Friday, September 28, 2012

http://ChemLookup.com Compounds




CAS RN: 12589-75-2
CAS Name: bismuth potassium oxygen(2-)
OPENEYE Name: bismuth potassium oxygen(2-)
IUPAC Name: bismuth potassium oxygen(2-)
SYSTEMATIC NAME: bismuth potassium oxygen(2-)
MOLECULAR FORMULA: BiKO3-2
MOLECULAR WEIGHT: 296.07688
SMILES: [O-2].[O-2].[O-2].[K+].[Bi+3]
Structure:

CAS RN: 12436-28-1
CAS Name: tetrasodium; oxygen(2-); vanadium
OPENEYE Name: tetrasodium; oxygen(2-); vanadium
IUPAC Name: tetrasodium; oxygen(2-); vanadium
SYSTEMATIC NAME: tetrasodium; oxygen(2-); vanadium
MOLECULAR FORMULA: Na4O17V6-30
MOLECULAR WEIGHT: 669.59788
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+].[Na+].[Na+].[V].[V].[V].[V].[V].[V]
Structure:

CAS RN: 12400-33-8
CAS Name: cadmium; selenium(2-)
OPENEYE Name: cadmium; selenium(2-)
IUPAC Name: cadmium; selenium(2-)
SYSTEMATIC NAME: cadmium; selenium(2-)
MOLECULAR FORMULA: CdSe2-4
MOLECULAR WEIGHT: 270.331
SMILES: [Se-2].[Se-2].[Cd]
Structure:

CAS RN: 12328-03-9
CAS Name: mercury(2+); triethylsulfonium; pentaiodide
OPENEYE Name: dimercuric triethylsulfonium pentaiodide
IUPAC Name: mercury(2+); triethylsulfanium; pentaiodide
SYSTEMATIC NAME: mercury(2+); triethylsulfanium; pentaiodide
MOLECULAR FORMULA: C6H15Hg2I5S
MOLECULAR WEIGHT: 1154.95065
SMILES: CC[S+](CC)CC.[I-].[I-].[I-].[I-].[I-].[Hg+2].[Hg+2]
Structure:

CAS RN: 73926-84-8
CAS Name: mercury(2+); triethylsulfonium; pentaiodide
OPENEYE Name: dimercuric triethylsulfonium pentaiodide
IUPAC Name: mercury(2+); triethylsulfanium; pentaiodide
SYSTEMATIC NAME: mercury(2+); triethylsulfanium; pentaiodide
MOLECULAR FORMULA: C6H15Hg2I5S
MOLECULAR WEIGHT: 1154.95065
SMILES: CC[S+](CC)CC.[I-].[I-].[I-].[I-].[I-].[Hg+2].[Hg+2]
Structure:

CAS RN: 12271-71-5
CAS Name: dizinc arsorate fluoride
OPENEYE Name: dizinc arsorate fluoride
IUPAC Name: dizinc arsorate fluoride
SYSTEMATIC NAME: dizinc arsorate fluoride
MOLECULAR FORMULA: AsFO4Zn2
MOLECULAR WEIGHT: 288.735603
SMILES: [O-][As](=O)([O-])[O-].[F-].[Zn+2].[Zn+2]
Structure:

CAS RN: 12261-99-3
CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexanone
OPENEYE Name: 2-(1,3-benzodioxol-5-ylmethyl)cyclohexanone
IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-one
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-one
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: C1CCC(=O)C(C1)CC2=CC3=C(C=C2)OCO3
Structure:

CAS RN: 12255-72-0
CAS Name: hexamagnesium oxygen(2-) diarsorate
OPENEYE Name: hexamagnesium oxygen(2-) diarsorate
IUPAC Name: hexamagnesium oxygen(2-) diarsorate
SYSTEMATIC NAME: hexamagnesium oxygen(2-) diarsorate
MOLECULAR FORMULA: As2Mg6O11
MOLECULAR WEIGHT: 471.6666
SMILES: [O-2].[O-2].[O-2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
Structure:

CAS RN: 12313-64-3
CAS Name: hexamagnesium oxygen(2-) diarsorate
OPENEYE Name: hexamagnesium oxygen(2-) diarsorate
IUPAC Name: hexamagnesium oxygen(2-) diarsorate
SYSTEMATIC NAME: hexamagnesium oxygen(2-) diarsorate
MOLECULAR FORMULA: As2Mg6O11
MOLECULAR WEIGHT: 471.6666
SMILES: [O-2].[O-2].[O-2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
Structure:

CAS RN: 12171-57-2
CAS Name: cyclopenta-1,3-diene; oxygen(2-); titanium(4+); tetrachloride
OPENEYE Name: cyclopenta-1,3-diene; oxygen(2-); titanium(4+); tetrachloride
IUPAC Name: cyclopenta-1,3-diene; oxygen(2-); titanium(4+); tetrachloride
SYSTEMATIC NAME: cyclopenta-1,3-diene; oxygen(2-); titanium(4+); tetrachloride
MOLECULAR FORMULA: C20H20Cl4O4Ti4
MOLECULAR WEIGHT: 657.6504
SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[O-2].[O-2].[O-2].[O-2].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
Structure:

CAS RN: 12118-17-1
CAS Name: cyclopenta-1,3-diene; oxygen(2-); titanium(4+); dichloride
OPENEYE Name: cyclopenta-1,3-diene; oxygen(2-); titanium(4+); dichloride
IUPAC Name: cyclopenta-1,3-diene; oxygen(2-); titanium(4+); dichloride
SYSTEMATIC NAME: cyclopenta-1,3-diene; oxygen(2-); titanium(4+); dichloride
MOLECULAR FORMULA: C20H20Cl2OTi2
MOLECULAR WEIGHT: 443.0122
SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[O-2].[Cl-].[Cl-].[Ti+4].[Ti+4]
Structure:

CAS RN: 12113-37-0
CAS Name: 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+); dichloride
OPENEYE Name: 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+); dichloride
IUPAC Name: 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+); dichloride
SYSTEMATIC NAME: 4,5,6,7-tetrahydroinden-7a-ide; titanium(4+); dichloride
MOLECULAR FORMULA: C18H22Cl2Ti
MOLECULAR WEIGHT: 357.14028
SMILES: C1CCC2=CC=C[C-]2C1.C1CCC2=CC=C[C-]2C1.[Cl-].[Cl-].[Ti+4]
Structure:

CAS RN: 12113-02-9
CAS Name: 2H-inden-2-ide; titanium(4+); dichloride
OPENEYE Name: 2H-inden-2-ide; titanium(4+); dichloride
IUPAC Name: 2H-inden-2-ide; titanium(4+); dichloride
SYSTEMATIC NAME: 2H-inden-2-ide; titanium(4+); dichloride
MOLECULAR FORMULA: C18H14Cl2Ti
MOLECULAR WEIGHT: 349.07676
SMILES: [CH-]1C=C2C=CC=CC2=C1.[CH-]1C=C2C=CC=CC2=C1.[Cl-].[Cl-].[Ti+4]
Structure:

CAS RN: 12018-40-5
CAS Name: chromium(3+); oxygen(2-)
OPENEYE Name: pentachromic oxygen(2-)
IUPAC Name: chromium(3+); oxygen(2-)
SYSTEMATIC NAME: chromium(3+); oxygen(2-)
MOLECULAR FORMULA: Cr5O12-9
MOLECULAR WEIGHT: 451.9733
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Cr+3].[Cr+3].[Cr+3].[Cr+3].[Cr+3]
Structure:

CAS RN: 12009-31-3
CAS Name: barium(2+); oxygen(2-); titanium(4+)
OPENEYE Name: barium(2+); oxygen(2-); titanium(4+)
IUPAC Name: barium(2+); oxygen(2-); titanium(4+)
SYSTEMATIC NAME: barium(2+); oxygen(2-); titanium(4+)
MOLECULAR FORMULA: BaO9Ti4
MOLECULAR WEIGHT: 472.7896
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ba+2]
Structure:

CAS RN: 11111-30-1
CAS Name: sodium; oxygen(2-); rhenium
OPENEYE Name: sodium; oxygen(2-); rhenium
IUPAC Name: sodium; oxygen(2-); rhenium
SYSTEMATIC NAME: sodium; oxygen(2-); rhenium
MOLECULAR FORMULA: NaORe-
MOLECULAR WEIGHT: 225.19617
SMILES: [O-2].[Na+].[Re]
Structure:

CAS RN: 11098-75-2
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-[(3,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate; s
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate; sulfuric aci
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-oxidanyl-4-oxidanylidene-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-azanyl-6-[[3-azanyl-6-[3,6-bis(azanyl)hexanoylamino]hexanoyl]amino]hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carb
MOLECULAR FORMULA: C62H126N24O40S5
MOLECULAR WEIGHT: 2008.12564
SMILES: C1=NC(=O)[C@H]2[C@H]([C@@H]1O)N[C@H](N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N.C1=NC(=O)[C@H]2[C@H]([C@@H]1O)N[C@H](N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(
Structure:

CAS RN: 11098-73-0
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[(3,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester; sulfuric acid
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate; sulfuric acid
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-hydroxy-4-oxo-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate; sulfuric acid
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[(2R,3aR,7S,7aR)-7-oxidanyl-4-oxidanylidene-1,2,3,3a,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-azanyl-6-[3,6-bis(azanyl)hexanoylamino]hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate; sulfuric acid
MOLECULAR FORMULA: C25H50N10O17S2
MOLECULAR WEIGHT: 826.8513
SMILES: C1=NC(=O)[C@H]2[C@H]([C@@H]1O)N[C@H](N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCN)N)N.OS(=O)(=O)O.OS(=O)(=O)O
Structure:

CAS RN: 11098-67-2
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diamino-1-oxohexyl]amino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester; sulfuric acid
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate; sulfuric acid
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate; sulfuric acid
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-oxidanyl-4-oxidanylidene-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-bis(azanyl)hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate; sulfuric acid
MOLECULAR FORMULA: C38H74N16O28S3
MOLECULAR WEIGHT: 1299.27956
SMILES: C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O.C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
Structure:

CAS RN: 11076-96-3
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-5-[[3-amino-6-[[3-amino-6-[(3,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]-3-oxanyl] ester; sulfuri
OPENEYE Name: [(2R,3R,4S,5R,6R)-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]tetrahydropyran-3-yl] carbamate; sulfuric acid
IUPAC Name: [(2R,3R,4S,5R,6R)-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate; sulfuric acid
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-5-[[3-azanyl-6-[[3-azanyl-6-[3,6-bis(azanyl)hexanoylamino]hexanoyl]amino]hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-6-[(7-oxidanyl-4-oxidanylidene-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate; sulfuric a
MOLECULAR FORMULA: C31H60N12O14S
MOLECULAR WEIGHT: 856.9451
SMILES: C1C(C2C(C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N)O.OS(=O)(=O)O
Structure:

CAS RN: 11052-79-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H20N2O4
MOLECULAR WEIGHT: 268.3089
SMILES: C[C@]12[C@H]3CC[C@@H]([C@H]1C(=O)OC2=O)O3.C1CNCCN1
Structure:

CAS RN: 11034-31-4
CAS Name: disodium (4S)-3-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
OPENEYE Name: disodium (4S)-3-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
IUPAC Name: disodium (4S)-3-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SYSTEMATIC NAME: disodium (4S)-3-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
MOLECULAR FORMULA: C9H10Na2O5
MOLECULAR WEIGHT: 244.15224
SMILES: CC1([C@@H]2CCC(C1C(=O)[O-])O2)C(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 58616-25-4
CAS Name: 4-[[[4-[[[(2S)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]-oxomethyl]amino]-1H-pyrrol-2-yl]-oxomethyl]amino]-N-(3-amino-3-iminopropyl)-1-methyl-2-pyrrolecarboxamide
OPENEYE Name: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-imino-propyl)-1-methyl-pyrrole-2-carboxamide
IUPAC Name: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide
SYSTEMATIC NAME: N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[[(2S)-5-azanyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]-1H-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C19H25N9O3
MOLECULAR WEIGHT: 427.4603
SMILES: CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2)NC(=O)[C@@H]3CCC(=N3)N
Structure:

CAS RN: 102583-49-3
CAS Name: 4-[[[4-[[[(2S)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]-oxomethyl]amino]-1H-pyrrol-2-yl]-oxomethyl]amino]-N-(3-amino-3-iminopropyl)-1-methyl-2-pyrrolecarboxamide; 2-hydroxybenzoic acid
OPENEYE Name: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-imino-propyl)-1-methyl-pyrrole-2-carboxamide; 2-hydroxybenzoic acid
IUPAC Name: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide; 2-hydroxybenzoic acid
SYSTEMATIC NAME: N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[[(2S)-5-azanyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]-1H-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C33H37N9O9
MOLECULAR WEIGHT: 703.70178
SMILES: CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2)NC(=O)[C@@H]3CCC(=N3)N.C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)O)O
Structure:

CAS RN: 11020-70-5
CAS Name: 4-[[[4-[[[(2S)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]-oxomethyl]amino]-1H-pyrrol-2-yl]-oxomethyl]amino]-N-(3-amino-3-iminopropyl)-1-methyl-2-pyrrolecarboxamide; 2-hydroxybenzoic acid
OPENEYE Name: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-imino-propyl)-1-methyl-pyrrole-2-carboxamide; 2-hydroxybenzoic acid
IUPAC Name: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide; 2-hydroxybenzoic acid
SYSTEMATIC NAME: N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[[(2S)-5-azanyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]-1H-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C33H37N9O9
MOLECULAR WEIGHT: 703.70178
SMILES: CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2)NC(=O)[C@@H]3CCC(=N3)N.C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)O)O
Structure:

CAS RN: 11003-88-6
CAS Name: 3-[3-[[5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren
OPENEYE Name: 3-[3-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradeca
IUPAC Name: 3-[3-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl
SYSTEMATIC NAME: 3-[3-[5-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-14,16-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phe
MOLECULAR FORMULA: C42H66O19
MOLECULAR WEIGHT: 874.96204
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O
Structure:

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