CAS RN: 68586-27-6
CAS Name: iron; nitrilooxonium
OPENEYE Name: iron; nitridooxonium
IUPAC Name: azanylidyneoxidanium; iron
SYSTEMATIC NAME: azanylidyneoxidanium; iron
MOLECULAR FORMULA: FeN2O2+2
MOLECULAR WEIGHT: 115.8572
SMILES: N#[O+].N#[O+].[Fe]
Structure:
CAS RN: 14154-42-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H16AlClN8
MOLECULAR WEIGHT: 574.957578
SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Al+3].[Cl-]
Structure:
CAS RN: 853176-81-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H16AlClN8
MOLECULAR WEIGHT: 574.957578
SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Al+3].[Cl-]
Structure:
CAS RN: 80858-93-1
CAS Name: (2S,3S)-3-[[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid
OPENEYE Name: (2S,3S)-3-[[(1S)-1-(isopentylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid
IUPAC Name: (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
MOLECULAR FORMULA: C15H26N2O5
MOLECULAR WEIGHT: 314.37734
SMILES: CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@H](O1)C(=O)O
Structure:
CAS RN: 76684-89-4
CAS Name: (2S,3S)-3-[[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid
OPENEYE Name: (2S,3S)-3-[[(1S)-1-(isopentylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid
IUPAC Name: (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
MOLECULAR FORMULA: C15H26N2O5
MOLECULAR WEIGHT: 314.37734
SMILES: CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@H](O1)C(=O)O
Structure:
CAS RN: 70539-42-3
CAS Name: butanedioic acid O4-(2,5-dioxo-1-pyrrolidinyl) ester O1-[2-[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1,4-dioxobutoxy]ethyl] ester
OPENEYE Name: O4-(2,5-dioxopyrrolidin-1-yl) O1-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-butanoyl]oxyethyl] butanedioate
IUPAC Name: 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxyethyl] butanedioate
SYSTEMATIC NAME: O4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl] O1-[2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-4-oxidanylidene-butanoyl]oxyethyl] butanedioate
MOLECULAR FORMULA: C18H20N2O12
MOLECULAR WEIGHT: 456.3576
SMILES: C1CC(=O)N(C1=O)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON2C(=O)CCC2=O
Structure:
CAS RN: 76808-18-9
CAS Name: 9H-pyrido[3,4-b]indole-3-carboxylic acid propyl ester
OPENEYE Name: propyl 9H-pyrido[3,4-b]indole-3-carboxylate
IUPAC Name: propyl 9H-pyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: propyl 9H-pyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C15H14N2O2
MOLECULAR WEIGHT: 254.28386
SMILES: CCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
Structure:
CAS RN: 20988-64-1
CAS Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-(4-sulfooxyphenyl)propyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]ami
OPENEYE Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butano
IUPAC Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobuta
SYSTEMATIC NAME: (3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]a
MOLECULAR FORMULA: C45H57N9O13S3
MOLECULAR WEIGHT: 1028.18158
SMILES: CSCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)N
Structure:
CAS RN: 71538-43-7
CAS Name: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methyl-8-furo[3,4-g][1,3]benzodioxolone chloride
OPENEYE Name: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methyl-furo[3,4-g][1,3]benzodioxol-8-one chloride
IUPAC Name: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methylfuro[3,4-g][1,3]benzodioxol-8-one chloride
SYSTEMATIC NAME: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methyl-furo[3,4-g][1,3]benzodioxol-8-one chloride
MOLECULAR FORMULA: C22H22ClNO6
MOLECULAR WEIGHT: 431.86618
SMILES: C[C@@]1(C2=C(C3=C(C=C2)OCO3)C(=O)O1)[C@@H]4C5=CC6=C(C=C5CC[N+]4(C)C)OCO6.[Cl-]
Structure:
CAS RN: 38641-83-7
CAS Name: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methyl-8-furo[3,4-g][1,3]benzodioxolone chloride
OPENEYE Name: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methyl-furo[3,4-g][1,3]benzodioxol-8-one chloride
IUPAC Name: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methylfuro[3,4-g][1,3]benzodioxol-8-one chloride
SYSTEMATIC NAME: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methyl-furo[3,4-g][1,3]benzodioxol-8-one chloride
MOLECULAR FORMULA: C22H22ClNO6
MOLECULAR WEIGHT: 431.86618
SMILES: C[C@@]1(C2=C(C3=C(C=C2)OCO3)C(=O)O1)[C@@H]4C5=CC6=C(C=C5CC[N+]4(C)C)OCO6.[Cl-]
Structure:
CAS RN: 24807-83-8
CAS Name: [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate
OPENEYE Name: [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxy-pentyl] dihydrogen phosphate
IUPAC Name: [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-5-phosphonooxy-pentyl] dihydrogen phosphate
MOLECULAR FORMULA: C5H12O11P2
MOLECULAR WEIGHT: 310.089702
SMILES: C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
Structure:
CAS RN: 2002-28-0
CAS Name: [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate
OPENEYE Name: [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxy-pentyl] dihydrogen phosphate
IUPAC Name: [(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-5-phosphonooxy-pentyl] dihydrogen phosphate
MOLECULAR FORMULA: C5H12O11P2
MOLECULAR WEIGHT: 310.089702
SMILES: C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
Structure:
CAS RN: 81705-06-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@@]45[C@H]3CC[C@@]4(C(OC5)(CO)O)O)O
Structure:
CAS RN: 864-27-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@@]45[C@H]3CC[C@@]4(C(OC5)(CO)O)O)O
Structure:
CAS RN: 110570-93-9
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]
OPENEYE Name: (2S)-N-[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]pyrrolid
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amin
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-
MOLECULAR FORMULA: C36H67N11O8S2
MOLECULAR WEIGHT: 846.11608
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1
Structure:
CAS RN: 85233-21-2
CAS Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-4-fluorophenoxy]ethoxy]-N-(carboxymethyl)-5-fluoroanilino]acetic acid
OPENEYE Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-4-fluoro-phenoxy]ethoxy]-N-(carboxymethyl)-5-fluoro-anilino]acetic acid
IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-4-fluorophenoxy]ethoxy]-N-(carboxymethyl)-5-fluoroanilino]acetic acid
SYSTEMATIC NAME: 2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]-4-fluoranyl-phenoxy]ethoxy]-5-fluoranyl-phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C22H22F2N2O10
MOLECULAR WEIGHT: 512.414286
SMILES: C1=CC(=C(C=C1F)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C(C=C2)F)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 153736-39-1
CAS Name: 5-mercapto-2-nitrobenzoic acid
OPENEYE Name: 2-nitro-5-sulfanyl-benzoic acid
IUPAC Name: 2-nitro-5-sulfanylbenzoic acid
SYSTEMATIC NAME: 2-nitro-5-sulfanyl-benzoic acid
MOLECULAR FORMULA: C7H5NO4S
MOLECULAR WEIGHT: 199.1839
SMILES: C1=CC(=C(C=C1S)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 19710-96-4
CAS Name: (2R,3R,4S,5R)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R)-2-(hydroxymethyl)-6-(2-nitrophenoxy)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H15NO8
MOLECULAR WEIGHT: 301.2494
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 72884-75-4
CAS Name: [[(2R,3S,4R,5R)-5-(6-amino-2-azido-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-amino-2-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-amino-2-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-azanyl-2-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N8O13P3
MOLECULAR WEIGHT: 548.193183
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(N=C2N)N=[N+]=[N-]
Structure:
CAS RN: 130783-37-8
CAS Name: 4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol
OPENEYE Name: 4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol
IUPAC Name: 4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[2-[4-(4-hydroxyphenyl)butylamino]-1-oxidanyl-ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: C1=CC(=CC=C1CCCCNCC(C2=CC(=C(C=C2)O)O)O)O
Structure:
CAS RN: 68025-31-0
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13
OPENEYE Name: [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,
IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,
MOLECULAR FORMULA: C58H76O8
MOLECULAR WEIGHT: 901.21924
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 184475-35-2
CAS Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine
OPENEYE Name: N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine
IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
MOLECULAR FORMULA: C22H24ClFN4O3
MOLECULAR WEIGHT: 446.902363
SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
Structure:
CAS RN: 89786-04-9
CAS Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1-triazolylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,5R)-3-methyl-4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C10H12N4O5S
MOLECULAR WEIGHT: 300.29108
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3
Structure:
CAS RN: 89785-84-2
CAS Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1-triazolylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,5R)-3-methyl-4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C10H12N4O5S
MOLECULAR WEIGHT: 300.29108
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3
Structure:
CAS RN: 132682-98-5
CAS Name: (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C10H21Cl2N2O7P
MOLECULAR WEIGHT: 383.162701
SMILES: C(CCl)NP(=O)(NCCCl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 129025-54-3
CAS Name: 2-(4-chlorophenyl)-3-ethyl-5-oxo-4-pyridazinecarboxylic acid
OPENEYE Name: 2-(4-chlorophenyl)-3-ethyl-5-oxo-pyridazine-4-carboxylic acid
IUPAC Name: 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylic acid
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-pyridazine-4-carboxylic acid
MOLECULAR FORMULA: C13H11ClN2O3
MOLECULAR WEIGHT: 278.69104
SMILES: CCC1=C(C(=O)C=NN1C2=CC=C(C=C2)Cl)C(=O)O
Structure:
CAS RN: 179463-17-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H96N10O19
MOLECULAR WEIGHT: 1213.41704
SMILES: CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H]([C@H](NC(=O)C2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O
Structure:
CAS RN: 72963-72-5
CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (2,5-dioxo-3-prop-2-ynyl-1-imidazolidinyl)methyl ester
OPENEYE Name: (2,5-dioxo-3-prop-2-ynyl-imidazolidin-1-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)-3-prop-2-ynyl-imidazolidin-1-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C17H22N2O4
MOLECULAR WEIGHT: 318.36758
SMILES: CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)CN(C2=O)CC#C)C
Structure:
CAS RN: 105102-22-5
CAS Name: (9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloro-1-oxoethyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (9R,10S,11S,13S,14S,16R,17R)-9-chloranyl-17-(2-chloranylethanoyl)-10,13,16-trimethyl-11,17-bis(oxidanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H28Cl2O4
MOLECULAR WEIGHT: 427.36132
SMILES: C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C
Structure:
CAS RN: 202409-33-4
CAS Name: 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
OPENEYE Name: 5-chloro-2-(6-methyl-3-pyridyl)-3-(4-methylsulfonylphenyl)pyridine
IUPAC Name: 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine
SYSTEMATIC NAME: 5-chloranyl-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine
MOLECULAR FORMULA: C18H15ClN2O2S
MOLECULAR WEIGHT: 358.8419
SMILES: CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl
Structure:
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