CAS RN: 103246-10-2
CAS Name: (8S,9S,10S,11S,13R,14S,17S)-11-hydroxy-10-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carboxaldehyde
OPENEYE Name: (8S,9S,10S,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
IUPAC Name: (8S,9S,10S,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
SYSTEMATIC NAME: (8S,9S,10S,11S,13R,14S,17S)-10-(hydroxymethyl)-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
MOLECULAR FORMULA: C21H28O6
MOLECULAR WEIGHT: 376.44342
SMILES: C1C[C@@H]([C@@]2([C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C2)O)CO)C=O)C(=O)CO
Structure:
CAS RN: 103237-52-1
CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic acid
OPENEYE Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid
IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-oxidanylidenepiperazin-1-yl)quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H16FN3O4
MOLECULAR WEIGHT: 345.325043
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(=O)C4)F)C(=O)O
Structure:
CAS RN: 103221-88-1
CAS Name: (2S)-1-[2-[[1-carboxy-5-[[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-2-yl]-oxomethyl]amino]pentyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[2-[[1-carboxy-5-[[4-[2-hydroxy-3-(isopropylamino)propoxy]-1H-indole-2-carbonyl]amino]pentyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[2-[[1-carboxy-5-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indole-2-carbonyl]amino]pentyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[2-[[1-oxidanyl-1-oxidanylidene-6-[[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1H-indol-2-yl]carbonylamino]hexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C29H43N5O8
MOLECULAR WEIGHT: 589.68042
SMILES: CC(C)NCC(COC1=CC=CC2=C1C=C(N2)C(=O)NCCCCC(C(=O)O)NC(C)C(=O)N3CCC[C@H]3C(=O)O)O
Structure:
CAS RN: 103213-32-7
CAS Name: (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[(triphenylmethyl)thio]propanoic acid
OPENEYE Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propanoic acid
IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C37H31NO4S
MOLECULAR WEIGHT: 585.71134
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
Structure:
CAS RN: 103176-67-6
CAS Name: 4-(4-phenylbutoxy)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
OPENEYE Name: 4-(4-phenylbutoxy)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
IUPAC Name: 4-(4-phenylbutoxy)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
SYSTEMATIC NAME: 4-(4-phenylbutoxy)-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
MOLECULAR FORMULA: C26H25N5O4
MOLECULAR WEIGHT: 471.5078
SMILES: C1C(OC2=C(C=CC=C2O1)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C5=NNN=N5
Structure:
CAS RN: 135556-20-6
CAS Name: 4-(4-phenylbutoxy)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
OPENEYE Name: 4-(4-phenylbutoxy)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
IUPAC Name: 4-(4-phenylbutoxy)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
SYSTEMATIC NAME: 4-(4-phenylbutoxy)-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzamide
MOLECULAR FORMULA: C26H25N5O4
MOLECULAR WEIGHT: 471.5078
SMILES: C1C(OC2=C(C=CC=C2O1)NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C5=NNN=N5
Structure:
CAS RN: 103137-93-5
CAS Name: (2S)-2-[[[(2R)-1-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-[[(1R)-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-[[(2R)-1-[[(2S)-2-(methylamino)propanoyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-[[(2R)-1-[[(2S)-2-(methylamino)propanoyl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C17H30N4O5
MOLECULAR WEIGHT: 370.4439
SMILES: C[C@@H](C(=O)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)NC
Structure:
CAS RN: 103083-55-2
CAS Name: 3,5-dinitro-2-[[6-oxo-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]hexyl]amino]benzoic acid
OPENEYE Name: 3,5-dinitro-2-[[6-oxo-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]hexyl]amino]benzoic acid
IUPAC Name: 3,5-dinitro-2-[[6-oxo-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]hexyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[6-[[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-6-oxidanylidene-hexyl]amino]-3,5-dinitro-benzoic acid
MOLECULAR FORMULA: C19H26N4O12
MOLECULAR WEIGHT: 502.42934
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])NCCCCCC(=O)NC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 103068-82-2
CAS Name: 2-(diethylamino)-N-[4-[(2-fluorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]acetamide hydrochloride
OPENEYE Name: 2-(diethylamino)-N-[4-(2-fluorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]acetamide hydrochloride
IUPAC Name: 2-(diethylamino)-N-[4-(2-fluorobenzoyl)-2,5-dimethylpyrazol-3-yl]acetamide hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)-N-[4-(2-fluorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]ethanamide hydrochloride
MOLECULAR FORMULA: C18H24ClFN4O2
MOLECULAR WEIGHT: 382.860163
SMILES: CCN(CC)CC(=O)NC1=C(C(=NN1C)C)C(=O)C2=CC=CC=C2F.Cl
Structure:
CAS RN: 103064-24-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H17N
MOLECULAR WEIGHT: 199.29148
SMILES: CN[C@@H]1[C@@H]2CC=C[C@@H]1CC3=CC=CC=C23
Structure:
CAS RN: 103022-52-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18N6O2S
MOLECULAR WEIGHT: 358.41812
SMILES: CN1C(=O)C2=CN(C1=O)CCCN3C=NC4=C3N=CN=C4SCCC2
Structure:
CAS RN: 103003-22-1
CAS Name: 6-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]hexanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 6-[[(3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]hexanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]hexanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]hexanoate
MOLECULAR FORMULA: C37H59NO5
MOLECULAR WEIGHT: 597.86806
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OCCCCCC(=O)ON5C(=O)CCC5=O)C)C
Structure:
CAS RN: 103000-77-7
CAS Name: (2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxan
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydr
IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-c
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(
MOLECULAR FORMULA: C42H62O16
MOLECULAR WEIGHT: 822.93208
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O
Structure:
CAS RN: 1405-86-3
CAS Name: (2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxan
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydr
IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-c
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(
MOLECULAR FORMULA: C42H62O16
MOLECULAR WEIGHT: 822.93208
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O
Structure:
CAS RN: 102979-72-6
CAS Name: (2S)-N-[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-4-methylpentanamide
OPENEYE Name: (2S)-N-[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanamide
IUPAC Name: (2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanamide
MOLECULAR FORMULA: C36H54N8O6S
MOLECULAR WEIGHT: 726.92896
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN)N
Structure:
CAS RN: 102978-36-9
CAS Name: (2S)-2-amino-3-[(3R)-5-fluoro-2,3-dihydro-1H-indol-3-yl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[(3R)-5-fluoroindolin-3-yl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[(3R)-5-fluoro-2,3-dihydro-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[(3R)-5-fluoranyl-2,3-dihydro-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C11H13FN2O2
MOLECULAR WEIGHT: 224.231523
SMILES: C1[C@@H](C2=C(N1)C=CC(=C2)F)C[C@@H](C(=O)O)N
Structure:
CAS RN: 102977-57-1
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoyl-2-thiazolyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]methyl]phosphinic acid
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoylthiazol-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methyl]phosphinic acid
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl]phosphinic acid
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(4-aminocarbonyl-1,3-thiazol-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methyl]phosphinic acid
MOLECULAR FORMULA: C20H27N7O13P2S
MOLECULAR WEIGHT: 667.480002
SMILES: C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)O)C(=O)N
Structure:
CAS RN: 102974-82-3
CAS Name: N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]hexane-1,6-diamine
OPENEYE Name: N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]hexane-1,6-diamine
IUPAC Name: N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]hexane-1,6-diamine
SYSTEMATIC NAME: N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]hexane-1,6-diamine
MOLECULAR FORMULA: C34H58N4O2
MOLECULAR WEIGHT: 554.84992
SMILES: COC1=CC=CC=C1CNCCCCCCNCCCCCCNCCCCCCNCC2=CC=CC=C2OC
Structure:
CAS RN: 102962-95-8
CAS Name: (2S)-2-[[[(2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-3-methyl-2-[[(2S)-1-[(2R)-4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]pyrrolidin-2-yl]carbonylamino]butanoic acid
MOLECULAR FORMULA: C18H31N3O6
MOLECULAR WEIGHT: 385.45524
SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O
Structure:
CAS RN: 102962-94-7
CAS Name: (2S)-2-[[[(2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-3-methyl-2-[[(2S)-1-[(2R)-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]pyrrolidin-2-yl]carbonylamino]butanoic acid
MOLECULAR FORMULA: C17H29N3O6
MOLECULAR WEIGHT: 371.42866
SMILES: CCC[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O
Structure:
CAS RN: 102932-29-6
CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
OPENEYE Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SYSTEMATIC NAME: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(6-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
MOLECULAR FORMULA: C23H25N5O6
MOLECULAR WEIGHT: 467.4745
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=C(O4)C=C(C=C5)O)N)OC
Structure:
CAS RN: 102932-28-5
CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl)methanone
OPENEYE Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl)methanone
IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl)methanone
SYSTEMATIC NAME: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(6-oxidanyl-2,3-dihydro-1,4-benzodioxin-2-yl)methanone
MOLECULAR FORMULA: C23H25N5O6
MOLECULAR WEIGHT: 467.4745
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=C(O4)C=CC(=C5)O)N)OC
Structure:
CAS RN: 102932-21-8
CAS Name: 4-(4-phenyldiazenylphenyl)azobenzoic acid
OPENEYE Name: 4-(4-phenylazophenyl)azobenzoic acid
IUPAC Name: 4-[(4-phenyldiazenylphenyl)diazenyl]benzoic acid
SYSTEMATIC NAME: 4-[(4-phenyldiazenylphenyl)diazenyl]benzoic acid
MOLECULAR FORMULA: C19H14N4O2
MOLECULAR WEIGHT: 330.34006
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)C(=O)O
Structure:
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