CAS RN: 163552-13-4
CAS Name: 2-[4-(3-iodophenyl)-1-piperidinyl]-1-cyclohexanol
OPENEYE Name: 2-[4-(3-iodophenyl)-1-piperidyl]cyclohexanol
IUPAC Name: 2-[4-(3-iodophenyl)piperidin-1-yl]cyclohexan-1-ol
SYSTEMATIC NAME: 2-[4-(3-iodanylphenyl)piperidin-1-yl]cyclohexan-1-ol
MOLECULAR FORMULA: C17H24INO
MOLECULAR WEIGHT: 385.28303
SMILES: C1CCC(C(C1)N2CCC(CC2)C3=CC(=CC=C3)I)O
Structure:
CAS RN: 163526-71-4
CAS Name: 1-cyclopentyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-4-yl)oxy]-1-phenylethanol
OPENEYE Name: 1-cyclopentyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-4-yl)oxy]-1-phenyl-ethanol
IUPAC Name: 1-cyclopentyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-4-yl)oxy]-1-phenylethanol
SYSTEMATIC NAME: 1-cyclopentyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-4-yl)oxy]-1-phenyl-ethanol
MOLECULAR FORMULA: C21H31NO2
MOLECULAR WEIGHT: 329.47634
SMILES: CN1C2CCC1C(CC2)OCC(C3CCCC3)(C4=CC=CC=C4)O
Structure:
CAS RN: 162435-91-8
CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[[(2S)-1-[(2S)-2-(methylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid
OPENEYE Name: (2S)-5-guanidino-2-[[(2S)-1-[(2S)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[(2S)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid
MOLECULAR FORMULA: C21H32N6O4
MOLECULAR WEIGHT: 432.51658
SMILES: CN[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 161970-95-2
CAS Name: trifluoromethanesulfonic acid [(7R)-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] ester
OPENEYE Name: [(3R)-3-(propylamino)tetralin-5-yl] trifluoromethanesulfonate
IUPAC Name: [(7R)-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate
SYSTEMATIC NAME: [(7R)-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C14H18F3NO3S
MOLECULAR WEIGHT: 337.35783
SMILES: CCCN[C@@H]1CCC2=C(C1)C(=CC=C2)OS(=O)(=O)C(F)(F)F
Structure:
CAS RN: 161897-65-0
CAS Name: (2S)-2-[[(4S,5S)-5-acetamido-6-cyclohexyl-4-hydroxy-1-oxo-2-propan-2-ylhexyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
OPENEYE Name: (2S)-2-[[(4S,5S)-5-acetamido-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoyl]amino]-N-[(1S)-1-carbamoyl-4-guanidino-butyl]pentanediamide
IUPAC Name: (2S)-2-[[(4S,5S)-5-acetamido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
SYSTEMATIC NAME: (2S)-2-[[(4S,5S)-5-acetamido-6-cyclohexyl-4-oxidanyl-2-propan-2-yl-hexanoyl]amino]-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]pentanediamide
MOLECULAR FORMULA: C28H52N8O6
MOLECULAR WEIGHT: 596.76248
SMILES: CC(C)C(C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
Structure:
CAS RN: 160383-80-2
CAS Name: 1-(5-chloro-2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(5-chloro-2-hydroxy-phenyl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(5-chloranyl-2-oxidanyl-phenyl)-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C14H10ClF3N2O2
MOLECULAR WEIGHT: 330.68961
SMILES: C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)Cl)O)C(F)(F)F
Structure:
CAS RN: 159719-55-8
CAS Name: 2-[(4-fluoro-3-iodophenyl)methyl]guanidine
OPENEYE Name: 2-[(4-fluoro-3-iodo-phenyl)methyl]guanidine
IUPAC Name: 2-[(4-fluoro-3-iodophenyl)methyl]guanidine
SYSTEMATIC NAME: 2-[(4-fluoranyl-3-iodanyl-phenyl)methyl]guanidine
MOLECULAR FORMULA: C8H9FIN3
MOLECULAR WEIGHT: 293.080033
SMILES: C1=CC(=C(C=C1CN=C(N)N)I)F
Structure:
CAS RN: 159542-04-8
CAS Name: (2S,5S,6R,10R,11S)-10-heptyl-6-hydroxy-4,11-dimethyl-5-(phenylmethyl)-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
OPENEYE Name: (2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-2-isopropyl-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
IUPAC Name: (2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
SYSTEMATIC NAME: (2S,5S,6R,10R,11S)-10-heptyl-4,11-dimethyl-6-oxidanyl-5-(phenylmethyl)-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
MOLECULAR FORMULA: C28H43NO6
MOLECULAR WEIGHT: 489.64412
SMILES: CCCCCCC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)N([C@H]([C@@H](CC(=O)O1)O)CC2=CC=CC=C2)C)C(C)C)C
Structure:
CAS RN: 158913-21-4
CAS Name: 4-nitro-2-(3-phenylpropylamino)benzoate
OPENEYE Name: 4-nitro-2-(3-phenylpropylamino)benzoate
IUPAC Name: 4-nitro-2-(3-phenylpropylamino)benzoate
SYSTEMATIC NAME: 4-nitro-2-(3-phenylpropylamino)benzoate
MOLECULAR FORMULA: C16H15N2O4-
MOLECULAR WEIGHT: 299.3013
SMILES: C1=CC=C(C=C1)CCCNC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)[O-]
Structure:
CAS RN: 158798-83-5
CAS Name: N-[(4S)-8-amino-9-(ethylamino)-2-methyl-5,9-dioxononan-4-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-5-amino-6-(ethylamino)-1-isobutyl-2,6-dioxo-hexyl]carbamate
IUPAC Name: benzyl N-[(4S)-8-amino-9-(ethylamino)-2-methyl-5,9-dioxononan-4-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(4S)-8-azanyl-9-(ethylamino)-2-methyl-5,9-bis(oxidanylidene)nonan-4-yl]carbamate
MOLECULAR FORMULA: C20H31N3O4
MOLECULAR WEIGHT: 377.47784
SMILES: CCNC(=O)C(CCC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)N
Structure:
CAS RN: 158745-44-9
CAS Name: 2-[[oxo-(3-tributylstannylphenyl)methyl]amino]acetic acid 2-(2,5-dioxo-1-pyrrolyl)ethyl ester
OPENEYE Name: 2-(2,5-dioxopyrrol-1-yl)ethyl 2-[(3-tributylstannylbenzoyl)amino]acetate
IUPAC Name: 2-(2,5-dioxopyrrol-1-yl)ethyl 2-[(3-tributylstannylbenzoyl)amino]acetate
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl 2-[(3-tributylstannylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C27H40N2O5Sn
MOLECULAR WEIGHT: 591.3269
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(=O)NCC(=O)OCCN2C(=O)C=CC2=O
Structure:
CAS RN: 158592-93-9
CAS Name: (1R,2R,6R)-4-tert-butyl-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
OPENEYE Name: (1R,2R,6R)-4-tert-butyl-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
IUPAC Name: (1R,2R,6R)-4-tert-butyl-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-5-one
SYSTEMATIC NAME: (1R,2R,6R)-4-tert-butyl-2-oxidanyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
MOLECULAR FORMULA: C10H14O3
MOLECULAR WEIGHT: 182.21636
SMILES: CC(C)(C)C1=C[C@H]([C@@H]2[C@H](C1=O)O2)O
Structure:
CAS RN: 158446-41-4
CAS Name: 1-(tert-butylamino)-3-[2-[(3-methoxy-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-propanol hydrochloride
OPENEYE Name: 1-(tert-butylamino)-3-[2-[(3-methoxy-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol hydrochloride
IUPAC Name: 1-(tert-butylamino)-3-[2-[(3-methoxy-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(tert-butylamino)-3-[2-[(3-methoxy-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol hydrochloride
MOLECULAR FORMULA: C17H26ClN3O5
MOLECULAR WEIGHT: 387.85844
SMILES: CC(C)(C)NCC(COC1=CC=CC=C1OCC2=NC(=NO2)OC)O.Cl
Structure:
CAS RN: 158382-37-7
CAS Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]-1-oxopropyl]-[(R)-carboxy(phenyl)methyl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]propanoyl]-[(R)-carboxy(phenyl)methyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]propanoyl]-[(R)-carboxy(phenyl)methyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]propanoyl]-[(1R)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C26H40Cl4N5O10PS
MOLECULAR WEIGHT: 787.474061
SMILES: C1=CC=C(C=C1)[C@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N)C(=O)[C@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)N
Structure:
CAS RN: 158358-22-6
CAS Name: 1-[3-(2-phenylethyl)-2-benzofuranyl]-2-(propylamino)ethanol
OPENEYE Name: 1-[3-(2-phenylethyl)benzofuran-2-yl]-2-(propylamino)ethanol
IUPAC Name: 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propylamino)ethanol
SYSTEMATIC NAME: 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propylamino)ethanol
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: CCCNCC(C1=C(C2=CC=CC=C2O1)CCC3=CC=CC=C3)O
Structure:
CAS RN: 158233-67-1
CAS Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(octadecylamino)-2-pyrimidinone
OPENEYE Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(octadecylamino)pyrimidin-2-one
IUPAC Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(octadecylamino)pyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(octadecylamino)pyrimidin-2-one
MOLECULAR FORMULA: C27H49N3O5
MOLECULAR WEIGHT: 495.69506
SMILES: CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 158198-48-2
CAS Name: (2S)-4-amino-N-(2-amino-1-oxoethyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide
OPENEYE Name: (2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxo-butanamide
IUPAC Name: (2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide
SYSTEMATIC NAME: (2S)-4-azanyl-N-(2-azanylethanoyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C36H38N4O6
MOLECULAR WEIGHT: 622.71012
SMILES: C1OC2=C(O1)C=C(C=C2)CN(CCC3=CC=C(C=C3)O)[C@@H](C(=O)CN)C(=O)N(CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CN
Structure:
CAS RN: 158198-45-9
CAS Name: 2-amino-N-[2-[2-(4-hydroxyphenyl)ethyl-(2-phenylethyl)amino]-1-oxoethyl]-N-[1-oxo-2-(4-phenylanilino)ethyl]acetamide
OPENEYE Name: 2-amino-N-[2-[2-(4-hydroxyphenyl)ethyl-(2-phenylethyl)amino]acetyl]-N-[2-(4-phenylanilino)acetyl]acetamide
IUPAC Name: 2-amino-N-[2-[2-(4-hydroxyphenyl)ethyl-(2-phenylethyl)amino]acetyl]-N-[2-(4-phenylanilino)acetyl]acetamide
SYSTEMATIC NAME: 2-azanyl-N-[2-[2-(4-hydroxyphenyl)ethyl-(2-phenylethyl)amino]ethanoyl]-N-[2-[(4-phenylphenyl)amino]ethanoyl]ethanamide
MOLECULAR FORMULA: C34H36N4O4
MOLECULAR WEIGHT: 564.67404
SMILES: C1=CC=C(C=C1)CCN(CCC2=CC=C(C=C2)O)CC(=O)N(C(=O)CN)C(=O)CNC3=CC=C(C=C3)C4=CC=CC=C4
Structure:
CAS RN: 158040-84-7
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphorin-2-yl)amino]nonyl]pentanamide
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)amino]nonyl]pentanamide
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)amino]nonyl]pentanamide
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxidanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)amino]nonyl]pentanamide
MOLECULAR FORMULA: C26H41N4O5PS
MOLECULAR WEIGHT: 552.666301
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCCCCNP3(=O)OCC4=CC=CC=C4O3)NC(=O)N2
Structure:
CAS RN: 157989-11-2
CAS Name: 1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)-2-propanol
OPENEYE Name: 1-(9H-carbazol-4-yloxy)-3-[(2-fluoro-1-methyl-ethyl)amino]propan-2-ol
IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-(9H-carbazol-4-yloxy)-3-(1-fluoranylpropan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C18H21FN2O2
MOLECULAR WEIGHT: 316.369943
SMILES: CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
Structure:
CAS RN: 157837-77-9
CAS Name: 2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-4-(3-isothiocyanato-4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid
OPENEYE Name: 2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridyl]-4-(3-isothiocyanato-4-methoxy-phenyl)-2-pyridyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(3-isothiocyanato-4-methoxyphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[[6-[6-[6-[[bis(2-hydroxy-2-oxoethyl)amino]methyl]pyridin-2-yl]-4-(3-isothiocyanato-4-methoxy-phenyl)pyridin-2-yl]pyridin-2-yl]methyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C33H30N6O9S
MOLECULAR WEIGHT: 686.6911
SMILES: COC1=C(C=C(C=C1)C2=CC(=NC(=C2)C3=NC(=CC=C3)CN(CC(=O)O)CC(=O)O)C4=NC(=CC=C4)CN(CC(=O)O)CC(=O)O)N=C=S
Structure:
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