CAS RN: 138228-38-3
CAS Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
OPENEYE Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[(3-amino-3-oxo-propyl)amino]-1-benzyl-2-oxo-ethyl]-5-guanidino-pentanamide
IUPAC Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
SYSTEMATIC NAME: (2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(3-azanyl-3-oxidanylidene-propyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C27H38N8O5
MOLECULAR WEIGHT: 554.64122
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 138225-06-6
CAS Name: 5-(8-fluoroundecylthio)pentanoic acid
OPENEYE Name: 5-(8-fluoroundecylsulfanyl)pentanoic acid
IUPAC Name: 5-(8-fluoroundecylsulfanyl)pentanoic acid
SYSTEMATIC NAME: 5-(8-fluoranylundecylsulfanyl)pentanoic acid
MOLECULAR FORMULA: C16H31FO2S
MOLECULAR WEIGHT: 306.479543
SMILES: CCCC(CCCCCCCSCCCCC(=O)O)F
Structure:
CAS RN: 138191-82-9
CAS Name: (2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-iodoamino]-5-(2,5-dioxo-1-pyrrolyl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid
OPENEYE Name: (2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]-iodo-amino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxo-pentanoic acid
IUPAC Name: (2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-iodanyl-amino]-5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-[(4-hydroxyphenyl)methyl]-3-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C22H27IN6O7
MOLECULAR WEIGHT: 614.39025
SMILES: C1=CC(=CC=C1C[C@@](C(=O)CCN2C(=O)C=CC2=O)(C(=O)O)N(C(=O)[C@H](CCCN=C(N)N)N)I)O
Structure:
CAS RN: 138191-81-8
CAS Name: (2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-iodoamino]-2-[[4-hydroxy-3-(2-pyridinyldisulfanyl)phenyl]methyl]-3-oxopentanoic acid
OPENEYE Name: (2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]-iodo-amino]-2-[[4-hydroxy-3-(2-pyridyldisulfanyl)phenyl]methyl]-3-oxo-pentanoic acid
IUPAC Name: (2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[[4-hydroxy-3-(pyridin-2-yldisulfanyl)phenyl]methyl]-3-oxopentanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-iodanyl-amino]-3-oxidanylidene-2-[[4-oxidanyl-3-(pyridin-2-yldisulfanyl)phenyl]methyl]pentanoic acid
MOLECULAR FORMULA: C23H29IN6O5S2
MOLECULAR WEIGHT: 660.54803
SMILES: CCC(=O)[C@](CC1=CC(=C(C=C1)O)SSC2=CC=CC=N2)(C(=O)O)N(C(=O)[C@H](CCCN=C(N)N)N)I
Structure:
CAS RN: 138169-54-7
CAS Name: 2-acetyl-4-[[3-acetyl-2,4-dihydroxy-6-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 2-acetyl-4-[[3-acetyl-2,4-dihydroxy-6-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
IUPAC Name: 2-acetyl-4-[[3-acetyl-2,4-dihydroxy-6-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 2-ethanoyl-4-[[3-ethanoyl-6-(3-methylbut-2-enoxy)-2,4-bis(oxidanyl)phenyl]methyl]-6-methyl-6-(3-methylbut-2-enyl)-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C28H34O8
MOLECULAR WEIGHT: 498.56476
SMILES: CC(=CCC1(C(=C(C(=C(C1=O)C(=O)C)O)CC2=C(C=C(C(=C2O)C(=O)C)O)OCC=C(C)C)O)C)C
Structure:
CAS RN: 138169-53-6
CAS Name: 2-acetyl-4-[(6-acetyl-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-8-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 2-acetyl-4-[(6-acetyl-5,7-dihydroxy-2,2-dimethyl-chromen-8-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
IUPAC Name: 2-acetyl-4-[(6-acetyl-5,7-dihydroxy-2,2-dimethylchromen-8-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 2-ethanoyl-4-[[6-ethanoyl-2,2-dimethyl-5,7-bis(oxidanyl)chromen-8-yl]methyl]-6-methyl-6-(3-methylbut-2-enyl)-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C28H32O8
MOLECULAR WEIGHT: 496.54888
SMILES: CC(=CCC1(C(=C(C(=C(C1=O)C(=O)C)O)CC2=C(C(=C(C3=C2OC(C=C3)(C)C)O)C(=O)C)O)O)C)C
Structure:
CAS RN: 138169-52-5
CAS Name: 2-acetyl-4-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-6-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 2-acetyl-4-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-chromen-6-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
IUPAC Name: 2-acetyl-4-[(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 2-ethanoyl-4-[[8-ethanoyl-2,2-dimethyl-5,7-bis(oxidanyl)chromen-6-yl]methyl]-6-methyl-6-(3-methylbut-2-enyl)-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C28H32O8
MOLECULAR WEIGHT: 496.54888
SMILES: CC(=CCC1(C(=C(C(=C(C1=O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C)OC(C=C3)(C)C)O)O)C)C
Structure:
CAS RN: 138154-40-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N4O2
MOLECULAR WEIGHT: 364.44086
SMILES: CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C
Structure:
CAS RN: 138154-39-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N4O2
MOLECULAR WEIGHT: 350.41428
SMILES: CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O
Structure:
CAS RN: 138149-59-4
CAS Name: 1-[2-(4,5-dihydrothiazol-2-ylamino)-1-oxoethyl]-4-(1,3-dithiol-2-ylidene)-2H-1-benzazepine-3,5-dione hydrochloride
OPENEYE Name: 1-[2-(4,5-dihydrothiazol-2-ylamino)acetyl]-4-(1,3-dithiol-2-ylidene)-2H-1-benzazepine-3,5-dione hydrochloride
IUPAC Name: 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetyl]-4-(1,3-dithiol-2-ylidene)-2H-1-benzazepine-3,5-dione hydrochloride
SYSTEMATIC NAME: 1-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethanoyl]-4-(1,3-dithiol-2-ylidene)-2H-1-benzazepine-3,5-dione hydrochloride
MOLECULAR FORMULA: C18H16ClN3O3S3
MOLECULAR WEIGHT: 453.98594
SMILES: C1CSC(=N1)NCC(=O)N2CC(=O)C(=C3SC=CS3)C(=O)C4=CC=CC=C42.Cl
Structure:
CAS RN: 138135-14-5
CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(3-fluoropropyl)piperidine
OPENEYE Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(3-fluoropropyl)piperidine
IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(3-fluoropropyl)piperidine
SYSTEMATIC NAME: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-1-(3-fluoranylpropyl)-4-(4-fluorophenyl)piperidine
MOLECULAR FORMULA: C22H25F2NO3
MOLECULAR WEIGHT: 389.435606
SMILES: C1CN(C[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CCCF
Structure:
CAS RN: 138117-50-7
CAS Name: 4-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]benzoic acid
OPENEYE Name: 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzoic acid
IUPAC Name: 4-[3-(6-oxo-3H-purin-9-yl)propanoylamino]benzoic acid
SYSTEMATIC NAME: 4-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]benzoic acid
MOLECULAR FORMULA: C15H13N5O4
MOLECULAR WEIGHT: 327.29482
SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=NC3=C2NC=NC3=O
Structure:
CAS RN: 138109-95-2
CAS Name: (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1,5-diox
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(1S)-1-carbamoyl-4-guanidino-buty
IUPAC Name: (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolid
SYSTEMATIC NAME: (2S)-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-o
MOLECULAR FORMULA: C54H75N13O11
MOLECULAR WEIGHT: 1082.2538
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCC4=CC=C(C=C4)O
Structure:
CAS RN: 138107-58-1
CAS Name: (3S)-3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenyl-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-4-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butanoic acid
MOLECULAR FORMULA: C24H27N5O7
MOLECULAR WEIGHT: 497.50048
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N
Structure:
CAS RN: 138086-00-7
CAS Name: 4-(3,4-dihydroxyphenyl)-7-hydroxy-2H-isoquinolin-8-one hydrochloride
OPENEYE Name: 4-(3,4-dihydroxyphenyl)-7-hydroxy-2H-isoquinolin-8-one hydrochloride
IUPAC Name: 4-(3,4-dihydroxyphenyl)-7-hydroxy-2H-isoquinolin-8-one hydrochloride
SYSTEMATIC NAME: 4-[3,4-bis(oxidanyl)phenyl]-7-oxidanyl-2H-isoquinolin-8-one hydrochloride
MOLECULAR FORMULA: C15H12ClNO4
MOLECULAR WEIGHT: 305.71308
SMILES: C1=CC(=C(C=C1C2=CNC=C3C2=CC=C(C3=O)O)O)O.Cl
Structure:
CAS RN: 138079-73-9
CAS Name: (3R,4S,5S,6R)-2,2-difluoro-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (3R,4S,5S,6R)-2,2-difluoro-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (3R,4S,5S,6R)-2,2-difluoro-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (3R,4S,5S,6R)-2,2-bis(fluoranyl)-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C6H10F2O5
MOLECULAR WEIGHT: 200.137406
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)(F)F)O)O)O)O
Structure:
CAS RN: 138060-13-6
CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid (5-octadecoxy-3-oxolanyl)methyl ester chloride
OPENEYE Name: (5-octadecoxytetrahydrofuran-3-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride
IUPAC Name: (5-octadecoxyoxolan-3-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride
SYSTEMATIC NAME: (5-octadecoxyoxolan-3-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride
MOLECULAR FORMULA: C34H59ClN2O5
MOLECULAR WEIGHT: 611.29566
SMILES: CCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[Cl-]
Structure:
CAS RN: 138008-05-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H42O8
MOLECULAR WEIGHT: 530.64968
SMILES: C[C@@H]1C[C@@]2(C[C@H](C(=O)OCC3([C@H](CC[C@]4(C3C[C@H](C5=C4C(=O)[C@H]([C@@]6(C1[C@@H]2C(=O)[C@@]56C)C)O)O)C)O)C)C)O
Structure:
CAS RN: 138008-04-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H40O8
MOLECULAR WEIGHT: 528.6338
SMILES: C[C@@H]1C[C@@]2(C[C@H](C(=O)OCC3(C4C[C@H](C5=C([C@]4(CCC3=O)C)C(=O)[C@H]([C@@]6(C1[C@@H]2C(=O)[C@@]56C)C)O)O)C)C)O
Structure:
CAS RN: 137967-81-8
CAS Name: 5-[1-(1-naphthalenyl)ethyl]-1H-imidazole hydrochloride
OPENEYE Name: 5-[1-(1-naphthyl)ethyl]-1H-imidazole hydrochloride
IUPAC Name: 5-(1-naphthalen-1-ylethyl)-1H-imidazole hydrochloride
SYSTEMATIC NAME: 5-(1-naphthalen-1-ylethyl)-1H-imidazole hydrochloride
MOLECULAR FORMULA: C15H15ClN2
MOLECULAR WEIGHT: 258.746
SMILES: CC(C1=CC=CC2=CC=CC=C21)C3=CN=CN3.Cl
Structure:
CAS RN: 137946-02-2
CAS Name: N1-(4-aminobutyl)butane-1,3-diamine
OPENEYE Name: N1-(4-aminobutyl)butane-1,3-diamine
IUPAC Name: 1-N-(4-aminobutyl)butane-1,3-diamine
SYSTEMATIC NAME: N1-(4-azanylbutyl)butane-1,3-diamine
MOLECULAR FORMULA: C8H21N3
MOLECULAR WEIGHT: 159.27244
SMILES: CC(CCNCCCCN)N
Structure:
CAS RN: 137945-40-5
CAS Name: 1-(5-iodanyl-2-thiophenyl)-N-propan-2-yl-2-propanamine
OPENEYE Name: 1-(5-iodanyl-2-thienyl)-N-isopropyl-propan-2-amine
IUPAC Name: 1-(5-iodanylthiophen-2-yl)-N-propan-2-ylpropan-2-amine
SYSTEMATIC NAME: 1-(5-iodanylthiophen-2-yl)-N-propan-2-yl-propan-2-amine
MOLECULAR FORMULA: C10H16INS
MOLECULAR WEIGHT: 313.211864
SMILES: CC(C)NC(C)CC1=CC=C(S1)[131I]
Structure:
CAS RN: 137945-32-5
CAS Name: 1-(5-iodo-2-thiophenyl)-2-propanamine
OPENEYE Name: 1-(5-iodo-2-thienyl)propan-2-amine
IUPAC Name: 1-(5-iodothiophen-2-yl)propan-2-amine
SYSTEMATIC NAME: 1-(5-iodanylthiophen-2-yl)propan-2-amine
MOLECULAR FORMULA: C7H10INS
MOLECULAR WEIGHT: 267.13047
SMILES: CC(CC1=CC=C(S1)I)N
Structure:
CAS RN: 137941-92-5
CAS Name: N-[4-[3-[methyl(2-quinolinylmethyl)amino]-3-phenoxypropoxy]phenyl]methanesulfonamide
OPENEYE Name: N-[4-[3-[methyl(2-quinolylmethyl)amino]-3-phenoxy-propoxy]phenyl]methanesulfonamide
IUPAC Name: N-[4-[3-[methyl(quinolin-2-ylmethyl)amino]-3-phenoxypropoxy]phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-[3-[methyl(quinolin-2-ylmethyl)amino]-3-phenoxy-propoxy]phenyl]methanesulfonamide
MOLECULAR FORMULA: C27H29N3O4S
MOLECULAR WEIGHT: 491.60186
SMILES: CN(CC1=NC2=CC=CC=C2C=C1)C(CCOC3=CC=C(C=C3)NS(=O)(=O)C)OC4=CC=CC=C4
Structure:
CAS RN: 137915-12-9
CAS Name: N-ethyl-N-methyl-2-methylsulfinylpropanamide
OPENEYE Name: N-ethyl-N-methyl-2-methylsulfinyl-propanamide
IUPAC Name: N-ethyl-N-methyl-2-methylsulfinylpropanamide
SYSTEMATIC NAME: N-ethyl-N-methyl-2-methylsulfinyl-propanamide
MOLECULAR FORMULA: C7H15NO2S
MOLECULAR WEIGHT: 177.2645
SMILES: CCN(C)C(=O)C(C)S(=O)C
Structure:
CAS RN: 137823-47-3
CAS Name: [[(2R,3S)-5-[3-[5-[[6-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]pentyl]-4-amino-1-pyrazolo[3,4-d]pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S)-5-[3-[5-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]pentyl]-4-amino-pyrazolo[3,4-d]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phospha
IUPAC Name: [[(2R,3S)-5-[3-[5-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]pentyl]-4-aminopyrazolo[3,4-d]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S)-5-[3-[5-[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]pentyl]-4-azanyl-pyrazolo[3,4-d]pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen pho
MOLECULAR FORMULA: C31H52N9O15P3S
MOLECULAR WEIGHT: 915.782163
SMILES: C1[C@@H]([C@H](OC1N2C3=C(C(=N2)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C(=NC=N3)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
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