CAS RN: 129799-93-5
CAS Name: 5-tert-butyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-imidazo[1,5-a]quinoxalinone
OPENEYE Name: 5-tert-butyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-4-one
IUPAC Name: 5-tert-butyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-4-one
SYSTEMATIC NAME: 5-tert-butyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-4-one
MOLECULAR FORMULA: C19H19N5O2
MOLECULAR WEIGHT: 349.38646
SMILES: CC(C)(C)N1C2=CC=CC=C2N3C=NC(=C3C1=O)C4=NOC(=N4)C5CC5
Structure:
CAS RN: 129794-24-7
CAS Name: N,N-dimethylcarbamic acid [9-[dimethylamino(oxo)methoxy]-6-oxo-5H-benzofuro[3,2-c]quinolin-3-yl] ester
OPENEYE Name: [9-(dimethylcarbamoyloxy)-6-oxo-5H-benzofuro[3,2-c]quinolin-3-yl] N,N-dimethylcarbamate
IUPAC Name: [9-(dimethylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N,N-dimethylcarbamate
SYSTEMATIC NAME: [9-(dimethylcarbamoyloxy)-6-oxidanylidene-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N,N-dimethylcarbamate
MOLECULAR FORMULA: C21H19N3O6
MOLECULAR WEIGHT: 409.39206
SMILES: CN(C)C(=O)OC1=CC2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)OC(=O)N(C)C)C(=O)N2
Structure:
CAS RN: 129728-07-0
CAS Name: (2S,3R,4R,5R)-5-[(1R)-1-[[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-oxolanyl]oxy]-2-hydroxyethyl]oxolane-2,3,4-triol
OPENEYE Name: (2S,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-hydroxy-ethyl]tetrahydrofuran-2,3,4-triol
IUPAC Name: (2S,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
SYSTEMATIC NAME: (2S,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-oxidanyl-ethyl]oxolane-2,3,4-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@H]2[C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O
Structure:
CAS RN: 129726-86-9
CAS Name: 6-methylheptanoic acid [2,2-dimethyl-3-(6-methyl-1-oxoheptoxy)propyl] ester
OPENEYE Name: [2,2-dimethyl-3-(6-methylheptanoyloxy)propyl] 6-methylheptanoate
IUPAC Name: [2,2-dimethyl-3-(6-methylheptanoyloxy)propyl] 6-methylheptanoate
SYSTEMATIC NAME: [2,2-dimethyl-3-(6-methylheptanoyloxy)propyl] 6-methylheptanoate
MOLECULAR FORMULA: C21H40O4
MOLECULAR WEIGHT: 356.5399
SMILES: CC(C)CCCCC(=O)OCC(C)(C)COC(=O)CCCCC(C)C
Structure:
CAS RN: 129716-45-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H33N3O2
MOLECULAR WEIGHT: 479.61262
SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CCN(CC4)CC(COC5=CC=CC6=C5C=CC=N6)O
Structure:
CAS RN: 129706-54-3
CAS Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-6-[2-[2-[2-[[(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]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[2-[2-[[(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]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyr
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[2-[2-[[(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]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]o
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[2-[2-[[(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]ethoxy]ethoxy]ethoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-
MOLECULAR FORMULA: C45H78O14
MOLECULAR WEIGHT: 843.09242
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OCCOCCOCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)C
Structure:
CAS RN: 129695-80-3
CAS Name: 5-isoquinolinesulfonic acid [4-[2-(5-isoquinolinylsulfonylamino)-3-(4-phenyl-1-piperazinyl)propyl]phenyl] ester
OPENEYE Name: [4-[2-(5-isoquinolylsulfonylamino)-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
IUPAC Name: [4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
SYSTEMATIC NAME: [4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
MOLECULAR FORMULA: C37H35N5O5S2
MOLECULAR WEIGHT: 693.8343
SMILES: C1CN(CCN1CC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6)C7=CC=CC=C7
Structure:
CAS RN: 129623-52-5
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C21H32N6O9
MOLECULAR WEIGHT: 512.51358
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CN=CN1)N
Structure:
CAS RN: 129623-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H28N4O3
MOLECULAR WEIGHT: 480.55762
SMILES: C[C@@]12[C@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C)OC
Structure:
CAS RN: 129601-50-9
CAS Name: N-[5-[[[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-imidazolecarboxamide
OPENEYE Name: N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
IUPAC Name: N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
MOLECULAR FORMULA: C22H30N8O3
MOLECULAR WEIGHT: 454.5254
SMILES: CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C
Structure:
CAS RN: 129592-83-2
CAS Name: N-cyclohexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide hydrochloride
OPENEYE Name: N-cyclohexyl-1,2,3,4-tetrahydrobenzothiopheno[2,3-c]pyridine-3-carboxamide hydrochloride
IUPAC Name: N-cyclohexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-cyclohexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide hydrochloride
MOLECULAR FORMULA: C18H23ClN2OS
MOLECULAR WEIGHT: 350.90602
SMILES: C1CCC(CC1)NC(=O)C2CC3=C(CN2)SC4=CC=CC=C34.Cl
Structure:
CAS RN: 129585-37-1
CAS Name: N4-(4-chlorophenyl)sulfonyl-N1-[(2S)-1-[[2-[2,3-dihydro-1H-inden-2-yl-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzene-1,4-dicarboxamide
OPENEYE Name: N4-(4-chlorophenyl)sulfonyl-N1-[(1S)-1-[[2-[indan-2-yl-[(1S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]amino]acetyl]carbamoyl]-2-methyl-propyl]terephthalamide
IUPAC Name: 4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-1-[[2-[2,3-dihydro-1H-inden-2-yl-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]acetyl]amino]-3-methyl-1-oxobutan-2-yl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N4-(4-chlorophenyl)sulfonyl-N1-[(2S)-1-[2-[2,3-dihydro-1H-inden-2-yl-[(3S)-1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]amino]ethanoylamino]-3-methyl-1-oxidanylidene-butan-2-yl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C36H38ClF3N4O7S
MOLECULAR WEIGHT: 763.22273
SMILES: CC(C)[C@@H](C(=O)NC(=O)CN(C1CC2=CC=CC=C2C1)[C@@H](C(C)C)C(=O)C(F)(F)F)NC(=O)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 129425-83-8
CAS Name: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
OPENEYE Name: 3-(5,6-dimethoxybenzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC Name: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C15H16N2O3S
MOLECULAR WEIGHT: 304.36414
SMILES: CC1CC(=O)NN=C1C2=CC3=CC(=C(C=C3S2)OC)OC
Structure:
CAS RN: 129400-04-0
CAS Name: (8S,9S,10S,13S,14S)-10-(difluoromethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: (8S,9S,10S,13S,14S)-10-(difluoromethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: (8S,9S,10S,13S,14S)-10-(difluoromethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (8S,9S,10S,13S,14S)-10-[bis(fluoranyl)methyl]-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H26F2O
MOLECULAR WEIGHT: 308.405946
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@]34C(F)F
Structure:
CAS RN: 129313-98-0
CAS Name: (10R)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
OPENEYE Name: (10R)-N-[3-[4-(2-aminoethyl)-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
IUPAC Name: (10R)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
SYSTEMATIC NAME: (10R)-N-[3-[4-(2-azanylethyl)-2,6-bis(bromanyl)phenoxy]propyl]-7,9-bis(bromanyl)-8-methoxy-10-oxidanyl-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
MOLECULAR FORMULA: C21H23Br4N3O5
MOLECULAR WEIGHT: 717.04042
SMILES: COC1=C([C@@H](C2(CC(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)CCN)Br)C=C1Br)O)Br
Structure:
CAS RN: 129276-56-8
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-4-carboxy-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]butyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]butanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]butanedioic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-3-oxidanyl-2-[2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoylamino]propanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C19H27N5O12
MOLECULAR WEIGHT: 517.44398
SMILES: C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O
Structure:
CAS RN: 129276-54-6
CAS Name: (4S)-5-[[2-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxo-4-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentanoic acid
OPENEYE Name: (4S)-5-[[2-[[(1S)-2-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
IUPAC Name: (4S)-5-[[2-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
SYSTEMATIC NAME: (4S)-5-[[2-[[(2S)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-4-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoic acid
MOLECULAR FORMULA: C19H28N6O11
MOLECULAR WEIGHT: 516.45922
SMILES: C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)O
Structure:
CAS RN: 129276-53-5
CAS Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-1,5-dioxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-oxobutanoic acid
OPENEYE Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoic acid
IUPAC Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H29N7O10
MOLECULAR WEIGHT: 515.47446
SMILES: C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)O
Structure:
CAS RN: 129273-26-3
CAS Name: 6-[[2-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-1-oxoethyl]amino]hexanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 6-[[2-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]hexanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[[2-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]hexanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-[2-[[(3S,5R,8R,9S,10S,12R,13S,17R)-10,13-dimethyl-12,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]ethanoylamino]hexanoate
MOLECULAR FORMULA: C35H50N2O10
MOLECULAR WEIGHT: 658.7789
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)OCC(=O)NCCCCCC(=O)ON6C(=O)CCC6=O
Structure:
CAS RN: 129244-81-1
CAS Name: (2S)-N-[(2S)-1-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-amino-3-(4-methylphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]
OPENEYE Name: (2S)-N-[(1S)-1-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]carbamoyl]-3-methylsulfanyl-propyl]-2-[[(2R)-2-[[(2S)-2-amino-3-(p-tolyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanamide
IUPAC Name: (2S)-N-[(2S)-1-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-amino-3-(4-methylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylp
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-methylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl
MOLECULAR FORMULA: C49H66N12O6S
MOLECULAR WEIGHT: 951.19014
SMILES: CC1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCN=C(N)N)N)N
Structure:
CAS RN: 129229-90-9
CAS Name: 2,2-dimethylpropanoic acid [1,4-bis[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-piperazinyl]methyl ester
OPENEYE Name: [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl 2,2-dimethylpropanoate
IUPAC Name: [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: [1,4-bis[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-2-yl]methyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C30H40N2O10
MOLECULAR WEIGHT: 588.646
SMILES: CC(C)(C)C(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
Structure:
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