CAS RN: 105688-00-4
CAS Name: 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3-methylbutyl]-3-(2-pyrrolidinyl)propanamide
OPENEYE Name: 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-isochroman-3-yl)-3-methyl-butyl]-3-pyrrolidin-2-yl-propanamide
IUPAC Name: 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide
SYSTEMATIC NAME: N-[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]-2,3-bis(oxidanyl)-3-pyrrolidin-2-yl-propanamide
MOLECULAR FORMULA: C21H30N2O6
MOLECULAR WEIGHT: 406.4727
SMILES: CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C3CCCN3)O)O
Structure:
CAS RN: 120229-04-1
CAS Name: [(3R,4R,5R)-2-(6-amino-8-azido-9-purinyl)-5-methyl-4-(2,4,6-trinitrophenoxy)-3-oxolanyl]oxy dihydrogen phosphate
OPENEYE Name: [(3R,4R,5R)-2-(6-amino-8-azido-purin-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)tetrahydrofuran-3-yl]oxy dihydrogen phosphate
IUPAC Name: [(3R,4R,5R)-2-(6-amino-8-azidopurin-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)oxolan-3-yl]oxy dihydrogen phosphate
SYSTEMATIC NAME: [(3R,4R,5R)-2-(6-azanyl-8-azido-purin-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)oxolan-3-yl]oxy dihydrogen phosphate
MOLECULAR FORMULA: C16H14N11O13P
MOLECULAR WEIGHT: 599.322021
SMILES: C[C@@H]1[C@H]([C@H](C(O1)N2C3=C(C(=NC=N3)N)N=C2N=[N+]=[N-])OOP(=O)(O)O)OC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 120243-02-9
CAS Name: N-[5-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-6-hydroxyhexyl]-2,3-dihydroxybenzamide
OPENEYE Name: N-[5-[(2,3-dihydroxybenzoyl)amino]-6-hydroxy-hexyl]-2,3-dihydroxy-benzamide
IUPAC Name: N-[5-[(2,3-dihydroxybenzoyl)amino]-6-hydroxyhexyl]-2,3-dihydroxybenzamide
SYSTEMATIC NAME: N-[5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanyl-hexyl]-2,3-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C20H24N2O7
MOLECULAR WEIGHT: 404.41376
SMILES: C1=CC(=C(C(=C1)O)O)C(=O)NCCCCC(CO)NC(=O)C2=C(C(=CC=C2)O)O
Structure:
CAS RN: 105678-35-1
CAS Name: 2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-1-oxo-3-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]propyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid
OPENEYE Name: 2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetic acid
IUPAC Name: 2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S,3S)-2-[2-[[(2S)-2-azanyl-3-[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C18H32N4O10
MOLECULAR WEIGHT: 464.46748
SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)N
Structure:
CAS RN: 120194-91-4
CAS Name: decanoic acid cyclopentylmethyl ester
OPENEYE Name: cyclopentylmethyl decanoate
IUPAC Name: cyclopentylmethyl decanoate
SYSTEMATIC NAME: cyclopentylmethyl decanoate
MOLECULAR FORMULA: C16H30O2
MOLECULAR WEIGHT: 254.4082
SMILES: CCCCCCCCCC(=O)OCC1CCCC1
Structure:
CAS RN: 120186-29-0
CAS Name: triethyl-[5-(1-ethyl-1-pyrrolidin-1-iumyl)pentyl]ammonium diiodide
OPENEYE Name: triethyl-[5-(1-ethylpyrrolidin-1-ium-1-yl)pentyl]ammonium diiodide
IUPAC Name: triethyl-[5-(1-ethylpyrrolidin-1-ium-1-yl)pentyl]azanium diiodide
SYSTEMATIC NAME: triethyl-[5-(1-ethylpyrrolidin-1-ium-1-yl)pentyl]azanium diiodide
MOLECULAR FORMULA: C17H38I2N2
MOLECULAR WEIGHT: 524.30596
SMILES: CC[N+]1(CCCC1)CCCCC[N+](CC)(CC)CC.[I-].[I-]
Structure:
CAS RN: 105644-04-0
CAS Name: (2S)-2-amino-5-[[(2R)-1-[[(4S)-4-amino-4-carboxy-1-oxobutyl]-(carboxymethyl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(1R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]-(carboxymethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2R)-1-[[(4S)-4-amino-4-carboxybutanoyl]-(carboxymethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-1-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-(2-hydroxy-2-oxoethyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H24N4O9S
MOLECULAR WEIGHT: 436.43746
SMILES: C(CC(=O)N[C@@H](CS)C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
Structure:
CAS RN: 120186-28-9
CAS Name: 1-decyl-2,2,6,6-tetramethylpiperidine hydrochloride
OPENEYE Name: 1-decyl-2,2,6,6-tetramethyl-piperidine hydrochloride
IUPAC Name: 1-decyl-2,2,6,6-tetramethylpiperidine hydrochloride
SYSTEMATIC NAME: 1-decyl-2,2,6,6-tetramethyl-piperidine hydrochloride
MOLECULAR FORMULA: C19H40ClN
MOLECULAR WEIGHT: 317.9806
SMILES: CCCCCCCCCCN1C(CCCC1(C)C)(C)C.Cl
Structure:
CAS RN: 120186-27-8
CAS Name: N,N-di(propan-2-yl)-1-decanamine hydroiodide
OPENEYE Name: N,N-diisopropyldecan-1-amine hydroiodide
IUPAC Name: N,N-di(propan-2-yl)decan-1-amine hydroiodide
SYSTEMATIC NAME: N,N-di(propan-2-yl)decan-1-amine hydroiodide
MOLECULAR FORMULA: C16H36IN
MOLECULAR WEIGHT: 369.36821
SMILES: CCCCCCCCCCN(C(C)C)C(C)C.I
Structure:
CAS RN: 120185-34-4
CAS Name: (9R,10S,13R)-3-hydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
OPENEYE Name: (9R,10S,13R)-3-hydroxy-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
IUPAC Name: (9R,10S,13R)-3-hydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
SYSTEMATIC NAME: (9R,10S,13R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@H](CCCC(C)(C)O)C1CC(=O)C2=C3CCC4CC(CC[C@@]4([C@H]3CC[C@]12C)C)O
Structure:
CAS RN: 120171-12-2
CAS Name: (3S,5S,9R,10S,13R)-3-hydroxy-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
OPENEYE Name: (3S,5S,9R,10S,13R)-3-hydroxy-17-[(1R)-4-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
IUPAC Name: (3S,5S,9R,10S,13R)-3-hydroxy-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
SYSTEMATIC NAME: (3S,5S,9R,10S,13R)-10,13-dimethyl-17-[(2R)-6-methyl-5-oxidanyl-heptan-2-yl]-3-oxidanyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@H](CCC(C(C)C)O)C1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
Structure:
CAS RN: 105603-45-0
CAS Name: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
OPENEYE Name: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
IUPAC Name: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
SYSTEMATIC NAME: (2S,5R,6R)-N-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
MOLECULAR FORMULA: C21H30N4O3S
MOLECULAR WEIGHT: 418.5529
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)NCCCN(C)C)C
Structure:
CAS RN: 120167-03-5
CAS Name: 2-(3-amino-6-imino-9-xanthenyl)benzoic acid pentyl ester
OPENEYE Name: pentyl 2-(3-amino-6-imino-xanthen-9-yl)benzoate
IUPAC Name: pentyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate
SYSTEMATIC NAME: pentyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate
MOLECULAR FORMULA: C25H24N2O3
MOLECULAR WEIGHT: 400.46966
SMILES: CCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N
Structure:
CAS RN: 120166-70-3
CAS Name: 1,4-bis[3-(4-chlorophenyl)propyl]piperazine
OPENEYE Name: 1,4-bis[3-(4-chlorophenyl)propyl]piperazine
IUPAC Name: 1,4-bis[3-(4-chlorophenyl)propyl]piperazine
SYSTEMATIC NAME: 1,4-bis[3-(4-chlorophenyl)propyl]piperazine
MOLECULAR FORMULA: C22H28Cl2N2
MOLECULAR WEIGHT: 391.37712
SMILES: C1CN(CCN1CCCC2=CC=C(C=C2)Cl)CCCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 120164-49-0
CAS Name: 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide hydrochloride
OPENEYE Name: 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide hydrochloride
IUPAC Name: 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-[[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide hydrochloride
MOLECULAR FORMULA: C17H20ClN3O3S2
MOLECULAR WEIGHT: 413.942
SMILES: CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)O)C.Cl
Structure:
CAS RN: 105566-69-6
CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-methylphenol
OPENEYE Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-2-methyl-phenol
IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-methylphenol
SYSTEMATIC NAME: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-2-methyl-phenol
MOLECULAR FORMULA: C20H27NO5
MOLECULAR WEIGHT: 361.43208
SMILES: CC1=C(C=CC(=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O)O
Structure:
CAS RN: 120152-00-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(C[C@@H]3C4(C2=C[C@H]([C@@]5([C@@]4(CC[C@@H](C5)O)C)O)O)O3)C
Structure:
CAS RN: 105555-57-5
CAS Name: 2-[2-(1-phenylpropyl)phenyl]acetic acid 2-[2-chloroethyl(methyl)amino]ethyl ester hydrochloride
OPENEYE Name: 2-[2-chloroethyl(methyl)amino]ethyl 2-[2-(1-phenylpropyl)phenyl]acetate hydrochloride
IUPAC Name: 2-[2-chloroethyl(methyl)amino]ethyl 2-[2-(1-phenylpropyl)phenyl]acetate hydrochloride
SYSTEMATIC NAME: 2-[2-chloroethyl(methyl)amino]ethyl 2-[2-(1-phenylpropyl)phenyl]ethanoate hydrochloride
MOLECULAR FORMULA: C22H29Cl2NO2
MOLECULAR WEIGHT: 410.37716
SMILES: CCC(C1=CC=CC=C1)C2=CC=CC=C2CC(=O)OCCN(C)CCCl.Cl
Structure:
CAS RN: 120144-15-2
CAS Name: (8S,11R,13R,14S)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-11-[4-(methylamino)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,11R,13R,14S)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-11-[4-(methylamino)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,11R,13R,14S)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-11-[4-(methylamino)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,11R,13R,14S)-13-methyl-11-[4-(methylamino)phenyl]-17-oxidanyl-17-(3-oxidanylpropyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C28H37NO3
MOLECULAR WEIGHT: 435.59828
SMILES: C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2(CCCO)O)C5=CC=C(C=C5)NC
Structure:
CAS RN: 105554-89-0
CAS Name: 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one
OPENEYE Name: 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one
IUPAC Name: 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one
SYSTEMATIC NAME: 3-azanyl-5H-benzo[b][1,4]benzothiazepin-6-one
MOLECULAR FORMULA: C13H10N2OS
MOLECULAR WEIGHT: 242.2963
SMILES: C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)N
Structure:
CAS RN: 105539-27-3
CAS Name: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(1R)-1-methyl-5-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C33H48N4O4
MOLECULAR WEIGHT: 564.75862
SMILES: C[C@H](CCCC(C)N(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-])[C@@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C
Structure:
CAS RN: 120139-69-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H14O10
MOLECULAR WEIGHT: 402.30846
SMILES: COC1=C2C(=C3C4=C1C(=O)OC5=C(C(=C(C(=C45)C(=O)O3)OC)OC)OC)OCO2
Structure:
CAS RN: 105537-78-8
CAS Name: 4-[3-(4-chlorophenyl)-6-imino-1-pyridazinyl]butanoic acid hydrochloride
OPENEYE Name: 4-[3-(4-chlorophenyl)-6-imino-pyridazin-1-yl]butanoic acid hydrochloride
IUPAC Name: 4-[3-(4-chlorophenyl)-6-iminopyridazin-1-yl]butanoic acid hydrochloride
SYSTEMATIC NAME: 4-[6-azanylidene-3-(4-chlorophenyl)pyridazin-1-yl]butanoic acid hydrochloride
MOLECULAR FORMULA: C14H15Cl2N3O2
MOLECULAR WEIGHT: 328.1938
SMILES: C1=CC(=CC=C1C2=NN(C(=N)C=C2)CCCC(=O)O)Cl.Cl
Structure:
CAS RN: 120139-66-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: COC1=C(C=C2C(=C1)CN3CCC24[C@@H]3C[C@@H](C=C4)O)O
Structure:
CAS RN: 105528-04-9
CAS Name: 1-[ethyl(nitroso)amino]ethyl dihydrogen phosphate
OPENEYE Name: 1-[ethyl(nitroso)amino]ethyl dihydrogen phosphate
IUPAC Name: 1-[ethyl(nitroso)amino]ethyl dihydrogen phosphate
SYSTEMATIC NAME: 1-[ethyl(nitroso)amino]ethyl dihydrogen phosphate
MOLECULAR FORMULA: C4H11N2O5P
MOLECULAR WEIGHT: 198.114301
SMILES: CCN(C(C)OP(=O)(O)O)N=O
Structure:
CAS RN: 105523-24-8
CAS Name: 6-[(5-methyl-1-imidazolyl)methyl]-2-naphthalenecarboxylic acid hydrochloride
OPENEYE Name: 6-[(5-methylimidazol-1-yl)methyl]naphthalene-2-carboxylic acid hydrochloride
IUPAC Name: 6-[(5-methylimidazol-1-yl)methyl]naphthalene-2-carboxylic acid hydrochloride
SYSTEMATIC NAME: 6-[(5-methylimidazol-1-yl)methyl]naphthalene-2-carboxylic acid hydrochloride
MOLECULAR FORMULA: C16H15ClN2O2
MOLECULAR WEIGHT: 302.7555
SMILES: CC1=CN=CN1CC2=CC3=C(C=C2)C=C(C=C3)C(=O)O.Cl
Structure:
CAS RN: 120128-20-3
CAS Name: 2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
OPENEYE Name: 2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
IUPAC Name: 2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
SYSTEMATIC NAME: 2-[[4-[[2-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
MOLECULAR FORMULA: C25H21N5O2
MOLECULAR WEIGHT: 423.46654
SMILES: C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC=CC=C4CC5=NNN=N5
Structure:
CAS RN: 120124-51-8
CAS Name: (2S)-2-[[(2R)-6-amino-2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-1-oxohexyl]amino]-3-hydroxypropanoic acid
OPENEYE Name: (2S)-2-[[(2R)-6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxy-propanoic acid
IUPAC Name: (2S)-2-[[(2R)-6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2R)-6-azanyl-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoyl]amino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C16H23N3O7
MOLECULAR WEIGHT: 369.36972
SMILES: C1=CC(=C(C(=C1)O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O
Structure:
CAS RN: 105514-56-5
CAS Name: 2,2-dimethylpropanoic acid [(3R)-4-[[3-[2-[(2-bromo-1-oxoethyl)thio]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
OPENEYE Name: [(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] 2,2-dimethylpropanoate
IUPAC Name: [(3R)-4-[[3-[2-(2-bromoacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [(3R)-4-[[3-[2-(2-bromanylethanoylsulfanyl)ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C18H31BrN2O6S
MOLECULAR WEIGHT: 483.41754
SMILES: CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCSC(=O)CBr)O
Structure:
CAS RN: 120119-18-8
CAS Name: 3-[3-(methylamino)propylamino]-1-propanethiol dihydrochloride
OPENEYE Name: 3-[3-(methylamino)propylamino]propane-1-thiol dihydrochloride
IUPAC Name: 3-[3-(methylamino)propylamino]propane-1-thiol dihydrochloride
SYSTEMATIC NAME: 3-[3-(methylamino)propylamino]propane-1-thiol dihydrochloride
MOLECULAR FORMULA: C7H20Cl2N2S
MOLECULAR WEIGHT: 235.2181
SMILES: CNCCCNCCCS.Cl.Cl
Structure:
CAS RN: 105514-32-7
CAS Name: 1-[methyl(nitroso)amino]ethyl dihydrogen phosphate
OPENEYE Name: 1-[methyl(nitroso)amino]ethyl dihydrogen phosphate
IUPAC Name: 1-[methyl(nitroso)amino]ethyl dihydrogen phosphate
SYSTEMATIC NAME: 1-[methyl(nitroso)amino]ethyl dihydrogen phosphate
MOLECULAR FORMULA: C3H9N2O5P
MOLECULAR WEIGHT: 184.087721
SMILES: CC(N(C)N=O)OP(=O)(O)O
Structure:
CAS RN: 105508-08-5
CAS Name: 6,7-diphenyl-3-pyrrolizinone
OPENEYE Name: 6,7-diphenylpyrrolizin-3-one
IUPAC Name: 6,7-diphenylpyrrolizin-3-one
SYSTEMATIC NAME: 6,7-diphenylpyrrolizin-3-one
MOLECULAR FORMULA: C19H13NO
MOLECULAR WEIGHT: 271.31262
SMILES: C1=CC=C(C=C1)C2=CN3C(=C2C4=CC=CC=C4)C=CC3=O
Structure:
CAS RN: 105508-03-0
CAS Name: 6,7-diphenyl-1-pyrrolizinone
OPENEYE Name: 6,7-diphenylpyrrolizin-1-one
IUPAC Name: 6,7-diphenylpyrrolizin-1-one
SYSTEMATIC NAME: 6,7-diphenylpyrrolizin-1-one
MOLECULAR FORMULA: C19H13NO
MOLECULAR WEIGHT: 271.31262
SMILES: C1=CC=C(C=C1)C2=CN3C=CC(=O)C3=C2C4=CC=CC=C4
Structure:
CAS RN: 105496-35-3
CAS Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-[2-[[(2S)-2-amino-3-mercapto-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-[2-[[(2S)-2-amino-3-methyl-3-sulfanyl-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-[2-[[(2S)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-[2-[[(2S)-2-azanyl-3-methyl-3-sulfanyl-butanoyl]amino]ethanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C30H41N5O7S
MOLECULAR WEIGHT: 615.74084
SMILES: CC(C)[C@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)CNC(=O)[C@@H](C(C)(C)S)N)C(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 105496-34-2
CAS Name: (2S)-2-(dimethylamino)-3-(5-mercapto-3-methyl-4-imidazolyl)propanoic acid
OPENEYE Name: (2S)-2-(dimethylamino)-3-(3-methyl-5-sulfanyl-imidazol-4-yl)propanoic acid
IUPAC Name: (2S)-2-(dimethylamino)-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-(dimethylamino)-3-(3-methyl-5-sulfanyl-imidazol-4-yl)propanoic acid
MOLECULAR FORMULA: C9H15N3O2S
MOLECULAR WEIGHT: 229.2993
SMILES: CN1C=NC(=C1C[C@@H](C(=O)O)N(C)C)S
Structure:
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