CAS RN: 114417-03-7
CAS Name: (1R)-3-[(2S)-1-amino-3,3-dimethyl-2-aziridinyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-amino-3,3-dimethyl-aziridin-2-yl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-amino-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-azanyl-3,3-dimethyl-aziridin-2-yl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C24H27N3O3
MOLECULAR WEIGHT: 405.48948
SMILES: CC1([C@@H](C1[C@H]2C(N2N)(C)C)C(=O)O[C@H](C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C
CAS RN: 114417-02-6
CAS Name: (1R)-3-[(2S)-3,3-dimethyl-2-aziridinyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(S)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C24H26N2O3
MOLECULAR WEIGHT: 390.47484
SMILES: CC1([C@@H](C1[C@H]2C(N2)(C)C)C(=O)O[C@H](C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C
CAS RN: 114416-93-2
CAS Name: (1R)-3-[(2S)-1-(1,3-dioxo-2-isoindolyl)-3,3-dimethyl-2-aziridinyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(R)-cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-(1,3-dioxoisoindolin-2-yl)-3,3-dimethyl-aziridin-2-yl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,3-dimethyl-aziridin-2-yl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C32H29N3O5
MOLECULAR WEIGHT: 535.58976
SMILES: CC1([C@@H](C1[C@H]2C(N2N3C(=O)C4=CC=CC=C4C3=O)(C)C)C(=O)O[C@@H](C#N)C5=CC(=CC=C5)OC6=CC=CC=C6)C
CAS RN: 114326-30-6
CAS Name: (1R)-3-[(2S)-1-amino-3,3-dimethyl-2-aziridinyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(R)-cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-amino-3,3-dimethyl-aziridin-2-yl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-amino-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-1-azanyl-3,3-dimethyl-aziridin-2-yl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C24H27N3O3
MOLECULAR WEIGHT: 405.48948
SMILES: CC1([C@@H](C1[C@H]2C(N2N)(C)C)C(=O)O[C@@H](C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C
CAS RN: 114326-29-3
CAS Name: (1R)-3-[(2S)-3,3-dimethyl-2-aziridinyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(R)-cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(R)-cyano-(3-phenoxyphenyl)methyl] (1R)-3-[(2S)-3,3-dimethylaziridin-2-yl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C24H26N2O3
MOLECULAR WEIGHT: 390.47484
SMILES: CC1([C@@H](C1[C@H]2C(N2)(C)C)C(=O)O[C@@H](C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C
CAS RN: 109890-37-1
CAS Name: (3R)-3-[(2R,3S,6R)-6-[[(1R,3S,6R,7R,9R)-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5S,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyl-2-oxanyl]
OPENEYE Name: (3R)-3-[(2R,3S,6R)-6-[[(1R,3S,6R,7R,9R)-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5S,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan
IUPAC Name: (3R)-3-[(2R,3S,6R)-6-[[(1R,3S,6R,7R,9R)-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5S,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]
SYSTEMATIC NAME: (3R)-3-[(2R,3S,6R)-6-[[(1R,3S,6R,7R,9R)-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5S,6R)-6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyl-oxan-
MOLECULAR FORMULA: C41H70O10
MOLECULAR WEIGHT: 722.9885
SMILES: C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)C)C[C@@H]2C[C@H]([C@H](C3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](CC(O5)[C@@H]6[C@H](C[C@@H]([C@@](O6)(CO)O)C)C)C)C)C)OC
CAS RN: 105394-84-1
CAS Name: 16-iodo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: 16-iodo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: 16-iodo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: 16-iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C19H25IO3
MOLECULAR WEIGHT: 428.30447
SMILES: CC12CC(C3C(C1CC(C2O)I)CCC4=C3C=CC(=C4)O)OC
CAS RN: 7154-10-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H33NO4
MOLECULAR WEIGHT: 375.50172
SMILES: CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3C4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C
CAS RN: 6284-02-2
CAS Name: (2S)-4-[(13R)-13-hydroxy-13-[(2R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one
OPENEYE Name: (2S)-4-[(13R)-13-hydroxy-13-[(2R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-2-methyl-2H-furan-5-one
IUPAC Name: (2S)-4-[(13R)-13-hydroxy-13-[(2R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: (2S)-2-methyl-4-[(13R)-13-oxidanyl-13-[(2R)-5-[(2R,5R)-5-[(1S)-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one
MOLECULAR FORMULA: C37H66O6
MOLECULAR WEIGHT: 606.91634
SMILES: CCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)C2CC[C@@H](O2)[C@@H](CCCCCCCCCCCCC3=C[C@@H](OC3=O)C)O)O
CAS RN: 5360-07-6
CAS Name: ammonia; 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S)-3-[[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-2-oxanyl]oxy]-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-5-methyl-2-oxolanyl]-7-hydroxy-3,8-dimethyl-4,10-dioxasp
OPENEYE Name: ammonia; 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-
IUPAC Name: azane; 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[
SYSTEMATIC NAME: azane; 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyl-oxan-2-yl]oxy-5-[(2S,3S,5R,6S)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxas
MOLECULAR FORMULA: C47H83NO17
MOLECULAR WEIGHT: 934.15842
SMILES: C[C@H]1C[C@H]([C@@](O[C@@H]1C2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)OC)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@H]([C@@H](O7)C)OC)OC)(C)O)C.N
CAS RN: 73684-69-2
CAS Name: (1R,2E,5R,7S,8S,9S,10E,14R,15S,16S)-8-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-15-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,7,9-trimethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,1
OPENEYE Name: (1R,2E,5R,7S,8S,9S,10E,14R,15S,16S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-15-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,7,9-trimethyl-13,17-dioxabicycl
IUPAC Name: (1R,2E,5R,7S,8S,9S,10E,14R,15S,16S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-15-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,7,9-trimethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-
SYSTEMATIC NAME: (1R,2E,5R,7S,8S,9S,10E,14R,15S,16S)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-5,7,9-trimethyl-15-oxidanyl-13,17-dioxabicyclo[14.1.0]heptadeca-
MOLECULAR FORMULA: C37H61NO13
MOLECULAR WEIGHT: 727.87914
SMILES: CC[C@@H]1[C@]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O
CAS RN: 20283-48-1
CAS Name: (1R,2E,5S,7S,8S,9S,10E,14R,15R,16R)-5-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-8-[[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,12-
OPENEYE Name: (1R,2E,5S,7S,8S,9S,10E,14R,15R,16R)-5-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-8-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1.0]hept
IUPAC Name: (1R,2E,5S,7S,8S,9S,10E,14R,15R,16R)-5-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,12-di
SYSTEMATIC NAME: (1R,2E,5S,7S,8S,9S,10E,14R,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-8-[(2S,3R,4S,6R)-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5,7,9,14-tetramethyl-5-oxidanyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,
MOLECULAR FORMULA: C35H56O14
MOLECULAR WEIGHT: 700.81074
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)/C=C/[C@@H]3[C@H](O3)[C@@H]([C@H](OC(=O)/C=C/[C@@H]2C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)(C)O)C)O)OC
CAS RN: 24916-51-6
CAS Name: acetic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6R)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-5-methoxy-9,16-dimeth
OPENEYE Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-m
IUPAC Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoe
SYSTEMATIC NAME: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxidan
MOLECULAR FORMULA: C45H76N2O15
MOLECULAR WEIGHT: 885.08934
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C
CAS RN: 509-38-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O
CAS RN: 5081-53-8
CAS Name: (Z)-3-phenyl-1-[(3R)-3-[(2S)-2-piperidinyl]-1-piperidinyl]-2-propen-1-one
OPENEYE Name: (Z)-3-phenyl-1-[(3R)-3-[(2S)-2-piperidyl]-1-piperidyl]prop-2-en-1-one
IUPAC Name: (Z)-3-phenyl-1-[(3R)-3-[(2S)-piperidin-2-yl]piperidin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: (Z)-3-phenyl-1-[(3R)-3-[(2S)-piperidin-2-yl]piperidin-1-yl]prop-2-en-1-one
MOLECULAR FORMULA: C19H26N2O
MOLECULAR WEIGHT: 298.42254
SMILES: C1CCN[C@@H](C1)[C@@H]2CCCN(C2)C(=O)/C=C\C3=CC=CC=C3
CAS RN: 65312-86-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H88O23
MOLECULAR WEIGHT: 1105.26272
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@@]6([C@H]7CC[C@@]89[C@@H]1CC(CC[C@]1(CO8)[C@@H](C[C@]9([C@@]7(CC[C@H]6C5(C)C)C)C)O)(C)C)C)C(=O)
CAS RN: 81861-72-5
CAS Name: (2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2H-pyridine-3-carbonitrile
OPENEYE Name: (2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2H-pyridine-3-carbonitrile
IUPAC Name: (2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-pyridine-3-carbonitrile
SYSTEMATIC NAME: (2S,3R)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-1-methyl-2-oxidanyl-6-oxidanylidene-2H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C14H20N2O9
MOLECULAR WEIGHT: 360.3166
SMILES: CN1[C@H]([C@](C(=CC1=O)OC)(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
CAS RN: 19879-06-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H20O10
MOLECULAR WEIGHT: 444.3882
SMILES: C[C@H]1C2=C(C3=C(C(=C2[C@H]4[C@@H](O1)CC(=O)O4)O)C(=O)C5=C(C3=O)[C@]6([C@H](O[C@@H]5C[C@H]6O)C)O)O
CAS RN: 20084-93-9
CAS Name: acetic acid [(1S,6S)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] ester
OPENEYE Name: [(1S,6S)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
IUPAC Name: [(1S,6S)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
SYSTEMATIC NAME: [(1S,6S)-6-azanyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] ethanoate
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CC(=O)O[C@H]1CCN2C1CC[C@@H](C2)N
CAS RN: 101932-71-2
CAS Name: [(2R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxy-1-oxopentyl]amino]butan-2-yl]-4-oxazolyl]p
OPENEYE Name: [(2R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-tetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(1S)-3-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxy-pentanoyl]amino]-1-methyl-propyl]oxazol-4
IUPAC Name: [(2R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl
SYSTEMATIC NAME: [(2R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-1-methoxy-4,6,8,9,13-pentamethyl-3,5-bis(oxidanyl)tetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(oxidanyl)pentanoyl]amino]butan-2-yl]-1,3-oxa
MOLECULAR FORMULA: C50H81N4O15P
MOLECULAR WEIGHT: 1009.169701
SMILES: C[C@H]1[C@@H](C[C@@]2(C([C@H](C(O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=C\C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O
CAS RN: 41303-74-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: COC1=C2C3=C(CNCC[C@]34C=C[C@@H](CC4O2)O)C=C1
CAS RN: 130464-63-0
CAS Name: 4-amino-1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]pyrimidin-2-one
MOLECULAR FORMULA: C10H15N3O3
MOLECULAR WEIGHT: 225.2444
SMILES: C1[C@@H]([C@H]([C@@H]1N2C=CC(=NC2=O)N)CO)CO
CAS RN: 923590-37-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H55N5O9S
MOLECULAR WEIGHT: 757.9364
SMILES: CC[C@H]1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCC5=C6CN(CC6=CC=C5)C(=O)O4)(C)C)C(C)(C)C
CAS RN: 62319-70-4
CAS Name: (4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,10,11-tris(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
MOLECULAR FORMULA: C36H58O11
MOLECULAR WEIGHT: 666.83912
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4C(C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C
CAS RN: 77448-64-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: C/C=C(/C)\C(=O)O[C@H]1C[C@@]2(C(=O)C=C(O2)/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)C
CAS RN: 121673-00-5
CAS Name: sulfuric acid [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclot
OPENEYE Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex
IUPAC Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-y
SYSTEMATIC NAME: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclo
MOLECULAR FORMULA: C62H111N11O15S
MOLECULAR WEIGHT: 1282.67444
SMILES: CC[C@H]1C(=O)N(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](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)OS(=O)(=O)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
CAS RN: 124256-81-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H49NO10
MOLECULAR WEIGHT: 631.75356
SMILES: CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H]([C@@H]([C@@H]31)[C@]5([C@H]([C@@H]([C@]6(C[C@@H]4C5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OCC)OC)OC)O)COC
CAS RN: 132289-23-7
CAS Name: dioxouranium(2+); N'-[(E)-(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate; trihydrate
OPENEYE Name: dioxouranium(2+); N'-[(E)-(3-methoxy-2-oxido-phenyl)methyleneamino]carbamimidate; trihydrate
IUPAC Name: dioxouranium(2+); N'-[(E)-(3-methoxy-2-oxidophenyl)methylideneamino]carbamimidate; trihydrate
SYSTEMATIC NAME: bis(oxidanylidene)uranium(2+); N'-[(E)-(3-methoxy-2-oxidanidyl-phenyl)methylideneamino]carbamimidate; trihydrate
MOLECULAR FORMULA: C9H15N3O8U
MOLECULAR WEIGHT: 531.25961
SMILES: COC1=CC=CC(=C1[O-])/C=N/N=C(/N)\[O-].O.O.O.O=[U+2]=O
CAS RN: 6619-97-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: CC(=O)O[C@@H]1C(=C)[C@@H]2CC[C@@H]3[C@]1(C2)CCC4[C@]3(CCC[C@@]4(C)C(=O)O)C
CAS RN: 160369-77-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C204H264N63O116P21S21
MOLECULAR WEIGHT: 6778.445441
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C
CAS RN: 144245-52-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C204H264N63O116P21S21
MOLECULAR WEIGHT: 6778.445441
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C
CAS RN: 21887-01-4
CAS Name: (4bS,10R)-1,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
OPENEYE Name: (4bS,10R)-1,10-dihydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
IUPAC Name: (4bS,10R)-1,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
SYSTEMATIC NAME: (4bS,10R)-4b,8,8-trimethyl-1,10-bis(oxidanyl)-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC(C3C[C@H]2O)(C)C)C)O
CAS RN: 26000-17-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H41NO7
MOLECULAR WEIGHT: 467.59554
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@](C31)([C@]5(C[C@@H](C6CC4C5[C@H]6OC)OC)O)O)OC)OC)CO
CAS RN: 345581-33-1
CAS Name: 2-formyl-3-methylbutanenitrile
OPENEYE Name: 2-formyl-3-methyl-butanenitrile
IUPAC Name: 2-formyl-3-methylbutanenitrile
SYSTEMATIC NAME: 2-methanoyl-3-methyl-butanenitrile
MOLECULAR FORMULA: C6H9NO
MOLECULAR WEIGHT: 111.14176
SMILES: CC(C)C(C=O)C#N
CAS RN: 4505-33-3
CAS Name: 4-(3-acetamidophenyl)butanoic acid
OPENEYE Name: 4-(3-acetamidophenyl)butanoic acid
IUPAC Name: 4-(3-acetamidophenyl)butanoic acid
SYSTEMATIC NAME: 4-(3-acetamidophenyl)butanoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(=O)NC1=CC=CC(=C1)CCCC(=O)O
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