CAS RN: 27028-82-6
CAS Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
OPENEYE Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
IUPAC Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
SYSTEMATIC NAME: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
MOLECULAR FORMULA: C18H41NO7S
MOLECULAR WEIGHT: 415.58564
SMILES: CCCCCCCCCCCCOCCN(CCO)CCO.OS(=O)(=O)O
Structure:
CAS RN: 52094-59-4
CAS Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
OPENEYE Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
IUPAC Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
SYSTEMATIC NAME: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
MOLECULAR FORMULA: C18H41NO7S
MOLECULAR WEIGHT: 415.58564
SMILES: CCCCCCCCCCCCOCCN(CCO)CCO.OS(=O)(=O)O
Structure:
CAS RN: 74565-55-2
CAS Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
OPENEYE Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
IUPAC Name: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
SYSTEMATIC NAME: 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethanol; sulfuric acid
MOLECULAR FORMULA: C18H41NO7S
MOLECULAR WEIGHT: 415.58564
SMILES: CCCCCCCCCCCCOCCN(CCO)CCO.OS(=O)(=O)O
Structure:
CAS RN: 90959-88-9
CAS Name: magnesium 2-propan-2-ylbenzenesulfonate
OPENEYE Name: magnesium 2-isopropylbenzenesulfonate
IUPAC Name: magnesium 2-propan-2-ylbenzenesulfonate
SYSTEMATIC NAME: magnesium 2-propan-2-ylbenzenesulfonate
MOLECULAR FORMULA: C18H22MgO6S2
MOLECULAR WEIGHT: 422.79868
SMILES: CC(C)C1=CC=CC=C1S(=O)(=O)[O-].CC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Mg+2]
Structure:
CAS RN: 13464-46-5
CAS Name: americium trichloride
OPENEYE Name: americium trichloride
IUPAC Name: americium trichloride
SYSTEMATIC NAME: americium trichloride
MOLECULAR FORMULA: AmCl3-3
MOLECULAR WEIGHT: 349.420373
SMILES: [Cl-].[Cl-].[Cl-].[Am]
Structure:
CAS RN: 19309-23-0
CAS Name: ethyl-dimethyl-tetradecylammonium; ethyl sulfate
OPENEYE Name: ethyl-dimethyl-tetradecyl-ammonium; ethyl sulfate
IUPAC Name: ethyl-dimethyl-tetradecylazanium; ethyl sulfate
SYSTEMATIC NAME: ethyl-dimethyl-tetradecyl-azanium; ethyl sulfate
MOLECULAR FORMULA: C20H45NO4S
MOLECULAR WEIGHT: 395.6406
SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]
Structure:
CAS RN: 503417-38-7
CAS Name: 1-(3-pyridinyl)-1-cyclopropanamine
OPENEYE Name: 1-(3-pyridyl)cyclopropanamine
IUPAC Name: 1-pyridin-3-ylcyclopropan-1-amine
SYSTEMATIC NAME: 1-pyridin-3-ylcyclopropan-1-amine
MOLECULAR FORMULA: C8H10N2
MOLECULAR WEIGHT: 134.1784
SMILES: C1CC1(C2=CN=CC=C2)N
Structure:
CAS RN: 150403-89-7
CAS Name: 2-amino-6-(1-aminoethylideneamino)hexanoic acid hydrochloride
OPENEYE Name: 2-amino-6-(1-aminoethylideneamino)hexanoic acid hydrochloride
IUPAC Name: 2-amino-6-(1-aminoethylideneamino)hexanoic acid hydrochloride
SYSTEMATIC NAME: 2-azanyl-6-(1-azanylethylideneamino)hexanoic acid hydrochloride
MOLECULAR FORMULA: C8H18ClN3O2
MOLECULAR WEIGHT: 223.70042
SMILES: CC(=NCCCCC(C(=O)O)N)N.Cl
Structure:
CAS RN: 9007-90-3
CAS Name: 5-amino-2-[[[1-[5-amino-2-[[[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid
OPENEYE Name: 5-amino-2-[[1-[5-amino-2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid
IUPAC Name: 5-amino-2-[[1-[5-amino-2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-azanyl-2-[[1-[5-azanyl-2-[[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C29H41N7O9
MOLECULAR WEIGHT: 631.67734
SMILES: C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CCC(=O)N)C(=O)O
Structure:
CAS RN: 55044-68-3
CAS Name: 6-iodo-2-pyridinecarboxylate
OPENEYE Name: 6-iodopyridine-2-carboxylate
IUPAC Name: 6-iodopyridine-2-carboxylate
SYSTEMATIC NAME: 6-iodanylpyridine-2-carboxylate
MOLECULAR FORMULA: C6H3INO2-
MOLECULAR WEIGHT: 247.99799
SMILES: C1=CC(=NC(=C1)I)C(=O)[O-]
Structure:
CAS RN: 6344-09-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H23NO4
MOLECULAR WEIGHT: 293.35812
SMILES: CC(C)[C@H]1[C@@H]2[C@@H]3CC[C@]4([C@@]3([C@@H]([C@H]1OC2=O)N(C4=O)C)C)O
Structure:
CAS RN: 7357-49-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H50N6O10
MOLECULAR WEIGHT: 786.8699
SMILES: C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H](C(=O)N1)N(C2=O)C)OC)C)C)CC5=CC=C(C=C5)OC)C)CO
Structure:
CAS RN: 98897-21-3
CAS Name: (2S)-N-[1-[(2-amino-2-oxoethyl)amino]-5-(carbamoylamino)-1-oxopentan-2-yl]-1-[[(10R,13R,16S,19S,22S)-19-(2-amino-2-oxoethyl)-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-13-(phenylmethyl)-16-propan-2-yl-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]p
OPENEYE Name: (2S)-1-[(10R,13R,16S,19S,22S)-19-(2-amino-2-oxo-ethyl)-13-benzyl-10-[(4-ethoxyphenyl)methyl]-16-isopropyl-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carbonyl]-N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-ureido-butyl]pyr
IUPAC Name: (2S)-N-[1-[(2-amino-2-oxoethyl)amino]-5-(carbamoylamino)-1-oxopentan-2-yl]-1-[(10R,13R,16S,19S,22S)-19-(2-amino-2-oxoethyl)-13-benzyl-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-16-propan-2-yl-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosan
SYSTEMATIC NAME: (2S)-N-[5-(aminocarbonylamino)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[[(10R,13R,16S,19S,22S)-19-(2-azanyl-2-oxidanylidene-ethyl)-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentakis(oxidanylidene)-13-(phenylmethyl)-16-prop
MOLECULAR FORMULA: C53H76N12O12S2
MOLECULAR WEIGHT: 1137.37374
SMILES: CCOC1=CC=C(C=C1)C[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCC[C@H]4C(=O)NC(CCCNC(=O)N)C(=O)NCC(=O)N)CC(=O)N)C(C)C)CC5=CC=CC=C5
Structure:
CAS RN: 7599-16-8
CAS Name: (2S)-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[[(10S,13R,16S,19S,22S)-19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-10-[(4-hydroxyphenyl)methyl]-8,11,14,17,20-pentaoxo-13-(phenylmethyl)-24,25-dithia-9,12,15,18,21
OPENEYE Name: (2S)-1-[(10S,13R,16S,19S,22S)-19-(2-amino-2-oxo-ethyl)-16-(3-amino-3-oxo-propyl)-13-benzyl-10-[(4-hydroxyphenyl)methyl]-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carbonyl]-N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-gu
IUPAC Name: (2S)-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10S,13R,16S,19S,22S)-19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-13-benzyl-10-[(4-hydroxyphenyl)methyl]-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazas
SYSTEMATIC NAME: (2S)-N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[[(10S,13R,16S,19S,22S)-19-(2-azanyl-2-oxidanylidene-ethyl)-16-(3-azanyl-3-oxidanylidene-propyl)-10-[(4-hydroxyphenyl)methyl]-8,11,14,17,20-pe
MOLECULAR FORMULA: C51H72N14O12S2
MOLECULAR WEIGHT: 1137.33398
SMILES: C1CCC2(CC1)CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSS2)C(=O)N3CCC[C@H]3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC4=CC=CC=C4)CC5=CC=C(C=C5)O
Structure:
CAS RN: 81943-57-9
CAS Name: (2S)-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[[(10S,13R,16S,19S,22S)-19-(2-amino-2-oxoethyl)-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-13-(phenylmethyl)-16-propan-2-yl-24,25-dithia-9,12,15,18,21-pentazaspi
OPENEYE Name: (2S)-1-[(10S,13R,16S,19S,22S)-19-(2-amino-2-oxo-ethyl)-13-benzyl-10-[(4-ethoxyphenyl)methyl]-16-isopropyl-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carbonyl]-N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]
IUPAC Name: (2S)-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10S,13R,16S,19S,22S)-19-(2-amino-2-oxoethyl)-13-benzyl-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-16-propan-2-yl-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]p
SYSTEMATIC NAME: (2S)-N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[[(10S,13R,16S,19S,22S)-19-(2-azanyl-2-oxidanylidene-ethyl)-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentakis(oxidanylidene)-13-(phenylmethyl
MOLECULAR FORMULA: C53H77N13O11S2
MOLECULAR WEIGHT: 1136.38898
SMILES: CCOC1=CC=C(C=C1)C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCC[C@H]4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)C(C)C)CC5=CC=CC=C5
Structure:
CAS RN: 3089-16-5
CAS Name: acetic acid [(2R,3S,4S,5R,7S,9S,10R,11R,12S,13R)-12-[(5-acetyloxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-7-hydroxy-2-(3-hydroxybutan-2-yl)-10-[(3-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl] ester
OPENEYE Name: [(2R,3S,4S,5R,7S,9S,10R,11R,12S,13R)-12-(5-acetoxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-7-hydroxy-10-(3-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-2-(2-hydroxy-1-methyl-propyl)-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl]
IUPAC Name: [(2R,3S,4S,5R,7S,9S,10R,11R,12S,13R)-12-(5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-hydroxy-2-(3-hydroxybutan-2-yl)-10-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl] acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R,7S,9S,10R,11R,12S,13R)-12-(5-acetyloxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-7-oxidanyl-2-(3-oxidanylbutan-2-yl)-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] ethanoa
MOLECULAR FORMULA: C42H72O16
MOLECULAR WEIGHT: 833.01148
SMILES: C[C@H]1C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@@H]1OC2C(C(CC(O2)C)OC)O)C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)C(C)C(C)O)C)OC(=O)C)C)(C)O
Structure:
CAS RN: 817-91-4
CAS Name: (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[[(10S,16S,19S,22S)-19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-10-[(4-methoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.
OPENEYE Name: (2S)-N-[(1S)-4-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]butyl]-1-[(10S,16S,19S,22S)-19-(2-amino-2-oxo-ethyl)-16-(3-amino-3-oxo-propyl)-10-[(4-methoxyphenyl)methyl]-13-[(1S)-1-methylpropyl]-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19
IUPAC Name: (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(10S,16S,19S,22S)-19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-10-[(4-methoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.1
SYSTEMATIC NAME: (2S)-N-[(2S)-5-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[[(10S,16S,19S,22S)-19-(2-azanyl-2-oxidanylidene-ethyl)-16-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-10-[(4-methoxyphenyl)methyl]-8,11,14,17,20-pen
MOLECULAR FORMULA: C48H74N12O12S2
MOLECULAR WEIGHT: 1075.30436
SMILES: CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSSC2(CCCCC2)CC(=O)N[C@H](C(=O)N1)CC3=CC=C(C=C3)OC)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Structure:
CAS RN: 50270-33-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H63NO10
MOLECULAR WEIGHT: 705.91822
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@H](O8)C)O)O)O)C)C)C
Structure:
CAS RN: 5660-83-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H27NO6
MOLECULAR WEIGHT: 353.41008
SMILES: CC(C)[C@@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
Structure:
CAS RN: 17179-91-8
CAS Name: 2-propenoic acid [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [(1S,2R,4R)-1,7,7-trimethylnorbornan-2-yl] prop-2-enoate
IUPAC Name: [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] prop-2-enoate
SYSTEMATIC NAME: [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] prop-2-enoate
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: C[C@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)C=C
Structure:
CAS RN: 97122-52-6
CAS Name: (2S)-2-[[[1-[[(7S,10S,13R,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-
OPENEYE Name: (2S)-2-[[1-[(7S,10S,13R,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-penta
IUPAC Name: (2S)-2-[[1-[(7S,10S,13R,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylide
SYSTEMATIC NAME: (2S)-2-[[1-[[(7S,10S,13R,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]
MOLECULAR FORMULA: C44H61N13O12S2
MOLECULAR WEIGHT: 1028.16504
SMILES: C1CC(N(C1)C(=O)C2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 63706-94-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: C1[C@@H]2C[C@@H]([C@@H]1C3=CC=CC=C23)N
Structure:
CAS RN: 50503-69-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: C[C@@]12CCCC(C3[C@@H]1CCC3C2=C)(C)C
Structure:
CAS RN: 915369-46-9
CAS Name: 4,8-dichloro-6-nitro-3-quinolinecarbonitrile
OPENEYE Name: 4,8-dichloro-6-nitro-quinoline-3-carbonitrile
IUPAC Name: 4,8-dichloro-6-nitroquinoline-3-carbonitrile
SYSTEMATIC NAME: 4,8-bis(chloranyl)-6-nitro-quinoline-3-carbonitrile
MOLECULAR FORMULA: C10H3Cl2N3O2
MOLECULAR WEIGHT: 268.05572
SMILES: C1=C(C=C2C(=C1Cl)N=CC(=C2Cl)C#N)[N+](=O)[O-]
Structure:
CAS RN: 946601-99-6
CAS Name: 2-chloro-6-[(E)-2-(4-chlorophenyl)ethenyl]-3-pyridinecarbonitrile
OPENEYE Name: 2-chloro-6-[(E)-2-(4-chlorophenyl)vinyl]pyridine-3-carbonitrile
IUPAC Name: 2-chloro-6-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-chloranyl-6-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-3-carbonitrile
MOLECULAR FORMULA: C14H8Cl2N2
MOLECULAR WEIGHT: 275.13272
SMILES: C1=CC(=CC=C1/C=C/C2=NC(=C(C=C2)C#N)Cl)Cl
Structure:
CAS RN: 354583-69-0
CAS Name: [(2R)-2-(8-carboxy-1-oxooctoxy)-3-hexadecoxypropyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2-(8-carboxyoctanoyloxy)-3-hexadecoxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2-(8-carboxyoctanoyloxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecoxy-2-(9-oxidanyl-9-oxidanylidene-nonanoyl)oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C33H66NO9P
MOLECULAR WEIGHT: 651.852201
SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O
Structure:
CAS RN: 118414-82-7
CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoate
OPENEYE Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoate
IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate
SYSTEMATIC NAME: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoate
MOLECULAR FORMULA: C27H33ClNO2S-
MOLECULAR WEIGHT: 471.07442
SMILES: CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)[O-])CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 853192-45-7
CAS Name: 3-bromo-4-(4-methoxyphenyl)-1-methyl-2-quinolinone
OPENEYE Name: 3-bromo-4-(4-methoxyphenyl)-1-methyl-quinolin-2-one
IUPAC Name: 3-bromo-4-(4-methoxyphenyl)-1-methylquinolin-2-one
SYSTEMATIC NAME: 3-bromanyl-4-(4-methoxyphenyl)-1-methyl-quinolin-2-one
MOLECULAR FORMULA: C17H14BrNO2
MOLECULAR WEIGHT: 344.20256
SMILES: CN1C2=CC=CC=C2C(=C(C1=O)Br)C3=CC=C(C=C3)OC
Structure:
CAS RN: 441045-17-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H63NO14S
MOLECULAR WEIGHT: 826.00222
SMILES: C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O.CS(=O)(=O)O
Structure:
CAS RN: 852954-81-5
CAS Name: butanedioic acid; 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; dihydrate
OPENEYE Name: 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; succinic acid; dihydrate
IUPAC Name: butanedioic acid; 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; dihydrate
SYSTEMATIC NAME: 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; butanedioic acid; dihydrate
MOLECULAR FORMULA: C22H28ClF5N6O7
MOLECULAR WEIGHT: 618.938736
SMILES: C[C@@H](C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F.C(CC(=O)O)C(=O)O.O.O
Structure:
CAS RN: 2899-29-8
CAS Name: (2S)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(2-oxidanyl-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C1=CC=C2C(=C1)C(=C(N2)O)C[C@@H](C(=O)O)N
Structure:
CAS RN: 222714-37-6
CAS Name: 4-[(1S)-1-aminoethyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[(1S)-1-aminoethyl]benzoate
IUPAC Name: methyl 4-[(1S)-1-aminoethyl]benzoate
SYSTEMATIC NAME: methyl 4-[(1S)-1-azanylethyl]benzoate
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: C[C@@H](C1=CC=C(C=C1)C(=O)OC)N
Structure:
CAS RN: 94247-26-4
CAS Name: 16-methylheptadecanoic acid tetradecyl ester
OPENEYE Name: tetradecyl 16-methylheptadecanoate
IUPAC Name: tetradecyl 16-methylheptadecanoate
SYSTEMATIC NAME: tetradecyl 16-methylheptadecanoate
MOLECULAR FORMULA: C32H64O2
MOLECULAR WEIGHT: 480.84936
SMILES: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C
Structure:
CAS RN: 548-37-8
CAS Name: (4aS,7S,7aR)-7-methyl-5-oxo-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (4aS,7S,7aR)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-5-oxidanylidene-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C17H24O10
MOLECULAR WEIGHT: 388.36646
SMILES: C[C@H]1CC(=O)[C@H]2[C@@H]1C(OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 71-62-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H51NO11
MOLECULAR WEIGHT: 673.79024
SMILES: C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CCC6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O
Structure:
CAS RN: 4136-37-2
CAS Name: (2S)-1,1-dimethyl-2-pyrrolidin-1-iumcarboxylate hydrochloride
OPENEYE Name: (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate hydrochloride
IUPAC Name: (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate hydrochloride
SYSTEMATIC NAME: (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate hydrochloride
MOLECULAR FORMULA: C7H14ClNO2
MOLECULAR WEIGHT: 179.64456
SMILES: C[N+]1(CCC[C@H]1C(=O)[O-])C.Cl
Structure:
CAS RN: 126-18-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
Structure:
CAS RN: 5928-26-7
CAS Name: 5-hydroxy-3-(4-methoxyphenyl)-7-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-3-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-3-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 64421-28-9
CAS Name: (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (1S,5R,7S)-1-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-5,7-bis(oxidanyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C17H26O11
MOLECULAR WEIGHT: 406.38174
SMILES: C[C@@]1(C[C@H](C2C1[C@@H](OC=C2C(=O)OC)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O
Structure:
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