CAS RN: 111865-30-6
CAS Name: 7-[(4-amino-5-iodo-6-methyl-2-oxanyl)oxy]-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 7-(4-amino-5-iodo-6-methyl-tetrahydropyran-2-yl)oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 7-(4-amino-5-iodo-6-methyloxan-2-yl)oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 7-(4-azanyl-5-iodanyl-6-methyl-oxan-2-yl)oxy-9-[1,2-bis(oxidanyl)ethyl]-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H30INO10
MOLECULAR WEIGHT: 655.43227
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(CO)O)O)N)I
Structure:
CAS RN: 111863-65-1
CAS Name: (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]dodecylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]dodecylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]dodecylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[12-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]dodecylamino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C32H48N10O8
MOLECULAR WEIGHT: 700.78572
SMILES: C1=NC2=C(C(=N1)NCCCCCCCCCCCCNC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N=CN2[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O
Structure:
CAS RN: 111822-93-6
CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione
OPENEYE Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxy-anthracene-9,10-dione
IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)aminomethyl]-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C19H17Cl2NO4
MOLECULAR WEIGHT: 394.24858
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CN(CCCl)CCCl)O
Structure:
CAS RN: 111802-47-2
CAS Name: (8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16-carboxylic acid methyl ester
OPENEYE Name: methyl (8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16-carboxylate
IUPAC Name: methyl (8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16-carboxylate
SYSTEMATIC NAME: methyl (8S,9S,10R,11S,13S,14S,16R,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16-carboxylate
MOLECULAR FORMULA: C23H30O7
MOLECULAR WEIGHT: 418.4801
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)C(=O)OC)CCC4=CC(=O)C=C[C@]34C)O
Structure:
CAS RN: 111660-18-5
CAS Name: 5-[4-[2-(1-aziridinyl)ethoxy]phenyl]-6-phenyl-7,8-dihydronaphthalen-2-ol
OPENEYE Name: 5-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-6-phenyl-7,8-dihydronaphthalen-2-ol
IUPAC Name: 5-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-6-phenyl-7,8-dihydronaphthalen-2-ol
SYSTEMATIC NAME: 5-[4-[2-(aziridin-1-yl)ethoxy]phenyl]-6-phenyl-7,8-dihydronaphthalen-2-ol
MOLECULAR FORMULA: C26H25NO2
MOLECULAR WEIGHT: 383.4822
SMILES: C1CC(=C(C2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC4)C5=CC=CC=C5
Structure:
CAS RN: 111594-84-4
CAS Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,11S,13R,14S,17S)-13-(hydroxymethyl)-11-oxidanyl-17-(2-oxidanylethanoyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H28O5
MOLECULAR WEIGHT: 348.43332
SMILES: C1C[C@@H]([C@@]2([C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@H](C2)O)CO)C(=O)CO
Structure:
CAS RN: 111631-13-1
CAS Name: 4-[[[(2S,4R)-5-amino-4-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]-oxomethyl]amino]-N-(3,3-diaminoprop-2-enylidene)-1H-pyrrole-2-carboxamide
OPENEYE Name: 4-[[(2S,4R)-5-amino-4-hydroxy-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-N-(3,3-diaminoprop-2-enylidene)-1H-pyrrole-2-carboxamide
IUPAC Name: 4-[[(2S,4R)-5-amino-4-hydroxy-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-N-(3,3-diaminoprop-2-enylidene)-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: 4-[[(2S,4R)-5-azanyl-4-oxidanyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]-N-[3,3-bis(azanyl)prop-2-enylidene]-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C13H17N7O3
MOLECULAR WEIGHT: 319.31918
SMILES: C1[C@H](C(=N[C@@H]1C(=O)NC2=CNC(=C2)C(=O)N=CC=C(N)N)N)O
Structure:
CAS RN: 111514-63-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H38O11
MOLECULAR WEIGHT: 610.64822
SMILES: CC(=O)O[C@@H]1[C@@H](C[C@@](C23[C@]1([C@@H]([C@@H]([C@H]([C@H]2OC(=O)C)C(O3)(C)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C)(C)O)O
Structure:
CAS RN: 111447-33-7
CAS Name: 3-(2-hydroxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 3-(2-hydroxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 3-(2-hydroxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-(2-hydroxyethyl)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H16N2O6
MOLECULAR WEIGHT: 272.25454
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)CO)O
Structure:
CAS RN: 111407-29-5
CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
OPENEYE Name: 4-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenol
IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
SYSTEMATIC NAME: 4-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenol
MOLECULAR FORMULA: C20H20O6
MOLECULAR WEIGHT: 356.3692
SMILES: COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O
Structure:
CAS RN: 111397-41-2
CAS Name: N,N'-bis(3-aminopropyl)-2,2-difluorobutane-1,4-diamine
OPENEYE Name: N,N'-bis(3-aminopropyl)-2,2-difluoro-butane-1,4-diamine
IUPAC Name: N,N'-bis(3-aminopropyl)-2,2-difluorobutane-1,4-diamine
SYSTEMATIC NAME: N,N'-bis(3-azanylpropyl)-2,2-bis(fluoranyl)butane-1,4-diamine
MOLECULAR FORMULA: C10H24F2N4
MOLECULAR WEIGHT: 238.321166
SMILES: C(CN)CNCCC(CNCCCN)(F)F
Structure:
CAS RN: 111397-40-1
CAS Name: N-(3-aminopropyl)-2,2-difluorobutane-1,4-diamine
OPENEYE Name: N-(3-aminopropyl)-2,2-difluoro-butane-1,4-diamine
IUPAC Name: N-(3-aminopropyl)-2,2-difluorobutane-1,4-diamine
SYSTEMATIC NAME: N-(3-azanylpropyl)-2,2-bis(fluoranyl)butane-1,4-diamine
MOLECULAR FORMULA: C7H17F2N3
MOLECULAR WEIGHT: 181.226786
SMILES: C(CN)CNCC(CCN)(F)F
Structure:
CAS RN: 111380-08-6
CAS Name: 1-methyl-5-nitroso-4-phenylimidazole
OPENEYE Name: 1-methyl-5-nitroso-4-phenyl-imidazole
IUPAC Name: 1-methyl-5-nitroso-4-phenylimidazole
SYSTEMATIC NAME: 1-methyl-5-nitroso-4-phenyl-imidazole
MOLECULAR FORMULA: C10H9N3O
MOLECULAR WEIGHT: 187.19796
SMILES: CN1C=NC(=C1N=O)C2=CC=CC=C2
Structure:
CAS RN: 111364-35-3
CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]amino]-3-(4-azido-3-iodophenyl)propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-3-(4-azido-3-iodo-phenyl)propanoate
IUPAC Name: methyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-azido-3-iodophenyl)propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-3-(4-azido-3-iodanyl-phenyl)propanoate
MOLECULAR FORMULA: C29H41IN8O12
MOLECULAR WEIGHT: 820.58671
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC(=C(C=C1)N=[N+]=[N-])I)C(=O)OC)NC(=O)C(C)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)O)NC(=O)C
Structure:
CAS RN: 111254-08-1
CAS Name: 3-[5-(2-carboxy-2-hydroxy-1-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]-2-hydroxy-3-oxopropanoic acid
OPENEYE Name: 3-[5-(2-carboxy-2-hydroxy-acetyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]-2-hydroxy-3-oxo-propanoic acid
IUPAC Name: 3-[5-(2-carboxy-2-hydroxyacetyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]-2-hydroxy-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[5-[2,3-bis(oxidanyl)-3-oxidanylidene-propanoyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl]-2-oxidanyl-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C13H15NO8
MOLECULAR WEIGHT: 313.2601
SMILES: CC1=C(CC(=C(N1)C)C(=O)C(C(=O)O)O)C(=O)C(C(=O)O)O
Structure:
CAS RN: 111249-53-7
CAS Name: 2,5,11-trimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
OPENEYE Name: 2,5,11-trimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
IUPAC Name: 2,5,11-trimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
SYSTEMATIC NAME: 2,5,11-trimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
MOLECULAR FORMULA: C18H16N2O
MOLECULAR WEIGHT: 276.33244
SMILES: CC1=CC(=O)C2=C(N1)C(=C3C4=CC=CC=C4NC3=C2C)C
Structure:
CAS RN: 111189-32-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H14
MOLECULAR WEIGHT: 302.36796
SMILES: C1=CC=C2C(=C1)C=CC3=C4C=CC=C5C4=C(C=C32)C6=CC=CC=C65
Structure:
CAS RN: 111119-29-0
CAS Name: 1-(2-chloro-4-nitro-1-imidazolyl)-3-methoxy-2-propanol
OPENEYE Name: 1-(2-chloro-4-nitro-imidazol-1-yl)-3-methoxy-propan-2-ol
IUPAC Name: 1-(2-chloro-4-nitroimidazol-1-yl)-3-methoxypropan-2-ol
SYSTEMATIC NAME: 1-(2-chloranyl-4-nitro-imidazol-1-yl)-3-methoxy-propan-2-ol
MOLECULAR FORMULA: C7H10ClN3O4
MOLECULAR WEIGHT: 235.625
SMILES: COCC(CN1C=C(N=C1Cl)[N+](=O)[O-])O
Structure:
CAS RN: 111119-28-9
CAS Name: (2S)-6-amino-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-carboxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-carboxy-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid
MOLECULAR FORMULA: C28H49N11O11
MOLECULAR WEIGHT: 715.75576
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)O
Structure:
CAS RN: 111113-75-8
CAS Name: (2S)-2-[[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl]ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl]ethylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl]ethylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[2-[(6R)-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl]ethylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H26N6O6
MOLECULAR WEIGHT: 458.46774
SMILES: C1CC2=C(C(=O)N=C(N2)N)N[C@H]1CCNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 111113-73-6
CAS Name: (2S)-2-[[[4-[2-(2-amino-4-oxo-1H-pyrido[3,2-d]pyrimidin-6-yl)ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[2-(2-amino-4-oxo-1H-pyrido[3,2-d]pyrimidin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-1H-pyrido[3,2-d]pyrimidin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[2-(2-azanyl-4-oxidanylidene-1H-pyrido[3,2-d]pyrimidin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H22N6O6
MOLECULAR WEIGHT: 454.43598
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCC2=NC3=C(C=C2)NC(=NC3=O)N
Structure:
CAS RN: 111103-92-5
CAS Name: 10-chloroheptadec-1-en-4,6-diyne-3,9-diol
OPENEYE Name: 10-chloroheptadec-1-en-4,6-diyne-3,9-diol
IUPAC Name: 10-chloroheptadec-1-en-4,6-diyne-3,9-diol
SYSTEMATIC NAME: 10-chloranylheptadec-1-en-4,6-diyne-3,9-diol
MOLECULAR FORMULA: C17H25ClO2
MOLECULAR WEIGHT: 296.8322
SMILES: CCCCCCCC(C(CC#CC#CC(C=C)O)O)Cl
Structure:
CAS RN: 111035-57-5
CAS Name: (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxybutanoic acid tert-butyl este
OPENEYE Name: tert-butyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-tert-butoxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoate
IUPAC Name: tert-butyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoate
SYSTEMATIC NAME: tert-butyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoate
MOLECULAR FORMULA: C41H62N6O10
MOLECULAR WEIGHT: 798.96518
SMILES: C[C@H]([C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O
Structure:
CAS RN: 110786-67-9
CAS Name: (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-tert-butoxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C37H54N6O10
MOLECULAR WEIGHT: 742.85886
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O
Structure:
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