CAS RN: 126854-10-2
CAS Name: 3,5,7,8-tetrahydroimidazo[2,1-b]purin-4-one
OPENEYE Name: 3,5,7,8-tetrahydroimidazo[2,1-b]purin-4-one
IUPAC Name: 3,5,7,8-tetrahydroimidazo[2,1-b]purin-4-one
SYSTEMATIC NAME: 3,5,7,8-tetrahydroimidazo[2,1-b]purin-4-one
MOLECULAR FORMULA: C7H7N5O
MOLECULAR WEIGHT: 177.16338
SMILES: C1CN2C3=C(C(=O)NC2=N1)NC=N3
Structure:
CAS RN: 58045-02-6
CAS Name: (2R)-2-(2-amino-6-oxo-3H-purin-9-yl)-2-[(2R)-1-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]-3-oxopropan-2-yl]oxyacetic acid
OPENEYE Name: (2R)-2-(2-amino-6-oxo-3H-purin-9-yl)-2-[(1R)-1-formyl-2-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]ethoxy]acetic acid
IUPAC Name: (2R)-2-(2-amino-6-oxo-3H-purin-9-yl)-2-[(2R)-1-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]-3-oxopropan-2-yl]oxyacetic acid
SYSTEMATIC NAME: (2R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[(2R)-1-oxidanylidene-3-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]propan-2-yl]oxy-ethanoic acid
MOLECULAR FORMULA: C10H14N5O14P3
MOLECULAR WEIGHT: 521.164543
SMILES: C1=NC2=C(N1[C@@H](C(=O)O)O[C@@H](CP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O)NC(=NC2=O)N
Structure:
CAS RN: 56509-01-4
CAS Name: 5-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-naphthalenyl]-1-naphthalenyl]methylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[[2,3,8-trihydroxy-4-isopropyl-6-methyl-7-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]-2-naphthyl]-1-naphthyl]methylene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]naphthalen-2-yl]naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[[6-methyl-7-[3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-8-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]naphthalen-2-yl]-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C38H34N4O12
MOLECULAR WEIGHT: 738.69616
SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=C3C(=O)NC(=O)NC3=O)O)O)C(C)C)O)C4=C(C=C5C(=C4O)C(=C(C(=C5C(C)C)O)O)C=C6C(=O)NC(=O)NC6=O)C
Structure:
CAS RN: 85946-56-1
CAS Name: 5-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-naphthalenyl]-1-naphthalenyl]methylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[[2,3,8-trihydroxy-4-isopropyl-6-methyl-7-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]-2-naphthyl]-1-naphthyl]methylene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]naphthalen-2-yl]naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[[6-methyl-7-[3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-8-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]naphthalen-2-yl]-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C38H34N4O12
MOLECULAR WEIGHT: 738.69616
SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=C3C(=O)NC(=O)NC3=O)O)O)C(C)C)O)C4=C(C=C5C(=C4O)C(=C(C(=C5C(C)C)O)O)C=C6C(=O)NC(=O)NC6=O)C
Structure:
CAS RN: 55533-06-7
CAS Name: N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[(2S)-2-[oxo(propylamino)methyl]-1-pyrrolidinyl]pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]a
OPENEYE Name: N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-4-guanidino-1-[(2S)-2-(propylcarbamoyl)pyrrolidine-1-carbonyl]butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-ox
IUPAC Name: N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[(2S)-2-(propylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3
SYSTEMATIC NAME: N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(2S)-2-(propylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydr
MOLECULAR FORMULA: C57H80N16O12
MOLECULAR WEIGHT: 1181.3451
SMILES: CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6
Structure:
CAS RN: 133561-39-4
CAS Name: 4-(2-amino-4-nitrophenyl)-3-nitroaniline
OPENEYE Name: 4-(2-amino-4-nitro-phenyl)-3-nitro-aniline
IUPAC Name: 4-(2-amino-4-nitrophenyl)-3-nitroaniline
SYSTEMATIC NAME: 4-(2-azanyl-4-nitro-phenyl)-3-nitro-aniline
MOLECULAR FORMULA: C12H10N4O4
MOLECULAR WEIGHT: 274.2322
SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])N
Structure:
CAS RN: 132971-59-6
CAS Name: 8-hydroxy-3-(hydroxymethyl)-6-methoxy-2-benzopyran-1-one
OPENEYE Name: 8-hydroxy-3-(hydroxymethyl)-6-methoxy-isochromen-1-one
IUPAC Name: 8-hydroxy-3-(hydroxymethyl)-6-methoxyisochromen-1-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-6-methoxy-8-oxidanyl-isochromen-1-one
MOLECULAR FORMULA: C11H10O5
MOLECULAR WEIGHT: 222.1941
SMILES: COC1=CC(=C2C(=C1)C=C(OC2=O)CO)O
Structure:
CAS RN: 124236-24-4
CAS Name: 8-chloro-3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 8-chloro-3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 8-chloro-3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 3-[3,4-bis(oxidanyl)phenyl]-8-chloranyl-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C15H9ClO6
MOLECULAR WEIGHT: 320.68136
SMILES: C1=CC(=C(C=C1C2=COC3=C(C2=O)C(=CC(=C3Cl)O)O)O)O
Structure:
CAS RN: 54643-27-5
CAS Name: 2,4-diamino-6-(hydroxymethyl)-8H-pteridin-7-one
OPENEYE Name: 2,4-diamino-6-(hydroxymethyl)-8H-pteridin-7-one
IUPAC Name: 2,4-diamino-6-(hydroxymethyl)-8H-pteridin-7-one
SYSTEMATIC NAME: 2,4-bis(azanyl)-6-(hydroxymethyl)-8H-pteridin-7-one
MOLECULAR FORMULA: C7H8N6O2
MOLECULAR WEIGHT: 208.17742
SMILES: C(C1=NC2=C(NC1=O)N=C(N=C2N)N)O
Structure:
CAS RN: 53479-23-5
CAS Name: (E)-3-oxo-1-phenyl-1-buten-1-olate; titanium(4+); dichloride
OPENEYE Name: (E)-3-oxo-1-phenyl-but-1-en-1-olate; titanium(4+); dichloride
IUPAC Name: (E)-3-oxo-1-phenylbut-1-en-1-olate; titanium(4+); dichloride
SYSTEMATIC NAME: (E)-3-oxidanylidene-1-phenyl-but-1-en-1-olate; titanium(4+); dichloride
MOLECULAR FORMULA: C20H18Cl2O4Ti
MOLECULAR WEIGHT: 441.12752
SMILES: CC(=O)/C=C(/[O-])\C1=CC=CC=C1.CC(=O)/C=C(/[O-])\C1=CC=CC=C1.[Cl-].[Cl-].[Ti+4]
Structure:
CAS RN: 77635-32-6
CAS Name: (6Z)-4-dodecyl-6-[(hydroxyamino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-4-dodecyl-6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-4-dodecyl-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-dodecyl-6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C19H31NO2
MOLECULAR WEIGHT: 305.45494
SMILES: CCCCCCCCCCCCC1=C/C(=C/NO)/C(=O)C=C1
Structure:
CAS RN: 134645-25-3
CAS Name: 2-amino-3-[2-[2-amino-3-(2-carboxyethyl)-6,7-dioxo-1H-indol-4-yl]-1H-indol-3-yl]propanoic acid
OPENEYE Name: 2-amino-3-[2-[2-amino-3-(2-carboxyethyl)-6,7-dioxo-1H-indol-4-yl]-1H-indol-3-yl]propanoic acid
IUPAC Name: 2-amino-3-[2-[2-amino-3-(2-carboxyethyl)-6,7-dioxo-1H-indol-4-yl]-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2-[2-azanyl-3-(3-hydroxy-3-oxopropyl)-6,7-bis(oxidanylidene)-1H-indol-4-yl]-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C22H20N4O6
MOLECULAR WEIGHT: 436.4174
SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=CC(=O)C(=O)C4=C3C(=C(N4)N)CCC(=O)O)CC(C(=O)O)N
Structure:
CAS RN: 54970-91-1
CAS Name: [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H14N5O13P3
MOLECULAR WEIGHT: 505.165143
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@@H](C=O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O
Structure:
CAS RN: 111555-58-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H25NO4
MOLECULAR WEIGHT: 415.481
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6
Structure:
CAS RN: 90712-47-3
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H15N5O5S2
MOLECULAR WEIGHT: 397.4294
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O
Structure:
CAS RN: 61370-87-4
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid
MOLECULAR FORMULA: C28H37N5O7S
MOLECULAR WEIGHT: 587.68768
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 65189-64-2
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
MOLECULAR FORMULA: C29H40N6O6
MOLECULAR WEIGHT: 568.6645
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 81608-30-2
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropa
OPENEYE Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino
IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxob
SYSTEMATIC NAME: (2S)-2-(2-azanylethanoylamino)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino
MOLECULAR FORMULA: C50H73N17O11S
MOLECULAR WEIGHT: 1120.28692
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC(=O)N)NC(=O)CN
Structure:
CAS RN: 70280-03-4
CAS Name: (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6-dihydroxy-1-oxohexan-3-yl]oxy-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid
OPENEYE Name: (4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2R,3R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-[(1R)-1-acetamido-2-oxo-ethyl]-3,4-dihydroxy-butoxy]propanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoic acid
IUPAC Name: (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid
SYSTEMATIC NAME: (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,6-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C27H45N5O16
MOLECULAR WEIGHT: 695.6701
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
Structure:
CAS RN: 55749-97-8
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]am
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-me
MOLECULAR FORMULA: C51H68N14O11S
MOLECULAR WEIGHT: 1085.23782
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5
Structure:
CAS RN: 98035-79-1
CAS Name: (2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-guanidino-pentanoyl]-N-[2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-benzyl-2-[(2S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1
IUPAC Name: (2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl
SYSTEMATIC NAME: (2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]a
MOLECULAR FORMULA: C59H92N18O12S
MOLECULAR WEIGHT: 1277.54018
SMILES: C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N)N
Structure:
CAS RN: 87616-84-0
CAS Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]hexanamide
OPENEYE Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
IUPAC Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
MOLECULAR FORMULA: C46H56N12O6
MOLECULAR WEIGHT: 873.01364
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)N
Structure:
CAS RN: 104302-77-4
CAS Name: (2R,3R)-2-[(7-mercapto-1-oxoheptyl)amino]-3-phosphonooxybutanoic acid
OPENEYE Name: (2R,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
IUPAC Name: (2R,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
SYSTEMATIC NAME: (2R,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
MOLECULAR FORMULA: C11H22NO7PS
MOLECULAR WEIGHT: 343.333641
SMILES: C[C@H]([C@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
Structure:
CAS RN: 110230-98-3
CAS Name: (2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]-1-oxoethyl]amino]butanedioic acid
OPENEYE Name: (2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid
IUPAC Name: (2S)-2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[2-[(2S,3S)-7-carboxy-17-ethenyl-12-ethyl-3-(3-hydroxy-3-oxopropyl)-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]ethanoylamino]butanedioic acid
MOLECULAR FORMULA: C38H41N5O9
MOLECULAR WEIGHT: 711.76024
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C
Structure:
CAS RN: 8059-68-5
CAS Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethy
OPENEYE Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8
IUPAC Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-7-chloranyl-4-(dimethylamino)-6,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoranyl-10,13-dimethyl-11,16,17-tris(oxidanyl)-17-(2-
MOLECULAR FORMULA: C42H48ClFN2O14
MOLECULAR WEIGHT: 859.286923
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)Cl)O
Structure:
CAS RN: 31330-63-9
CAS Name: 1-amino-1-[2-(5-tetrazolylidene)hydrazinyl]guanidine hydrate
OPENEYE Name: 1-amino-1-[2-(tetrazol-5-ylidene)hydrazino]guanidine hydrate
IUPAC Name: 1-amino-1-[2-(tetrazol-5-ylidene)hydrazinyl]guanidine hydrate
SYSTEMATIC NAME: 1-azanyl-1-[2-(1,2,3,4-tetrazol-5-ylidene)hydrazinyl]guanidine hydrate
MOLECULAR FORMULA: C2H8N10O
MOLECULAR WEIGHT: 188.15132
SMILES: C1(=NNN(C(=N)N)N)N=NN=N1.O
Structure:
CAS RN: 21679-46-9
CAS Name: cobalt(3+); (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: cobaltic (Z)-4-oxopent-2-en-2-olate
IUPAC Name: cobalt(3+); (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: cobalt(3+); (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C15H21CoO6
MOLECULAR WEIGHT: 356.25684
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Co+3]
Structure:
CAS RN: 13681-88-4
CAS Name: cobalt(3+); (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: cobaltic (Z)-4-oxopent-2-en-2-olate
IUPAC Name: cobalt(3+); (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: cobalt(3+); (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C15H21CoO6
MOLECULAR WEIGHT: 356.25684
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Co+3]
Structure:
CAS RN: 75042-71-6
CAS Name: cobalt(3+); (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: cobaltic (Z)-4-oxopent-2-en-2-olate
IUPAC Name: cobalt(3+); (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: cobalt(3+); (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C15H21CoO6
MOLECULAR WEIGHT: 356.25684
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Co+3]
Structure:
CAS RN: 18039-69-5
CAS Name: dioxouranium(2+); (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: dioxouranium(2+); (Z)-4-oxopent-2-en-2-olate
IUPAC Name: dioxouranium(2+); (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: bis(oxidanylidene)uranium(2+); (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C10H14O6U
MOLECULAR WEIGHT: 468.24347
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].O=[U+2]=O
Structure:
CAS RN: 65137-06-6
CAS Name: (Z)-4-oxo-2-penten-2-olate; thorium(4+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; thorium(4+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; thorium(4+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; thorium(4+)
MOLECULAR FORMULA: C20H28O8Th
MOLECULAR WEIGHT: 628.46962
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Th+4]
Structure:
CAS RN: 15218-44-7
CAS Name: (E)-3-bromo-4-oxo-2-penten-2-olate; cobalt(3+)
OPENEYE Name: cobaltic (E)-3-bromo-4-oxo-pent-2-en-2-olate
IUPAC Name: (E)-3-bromo-4-oxopent-2-en-2-olate; cobalt(3+)
SYSTEMATIC NAME: (E)-3-bromanyl-4-oxidanylidene-pent-2-en-2-olate; cobalt(3+)
MOLECULAR FORMULA: C15H18Br3CoO6
MOLECULAR WEIGHT: 592.94502
SMILES: C/C(=C(\Br)/C(=O)C)/[O-].C/C(=C(\Br)/C(=O)C)/[O-].C/C(=C(\Br)/C(=O)C)/[O-].[Co+3]
Structure:
CAS RN: 14128-84-8
CAS Name: copper (Z)-3-oxo-1-phenyl-1-buten-1-olate
OPENEYE Name: copper (Z)-3-oxo-1-phenyl-but-1-en-1-olate
IUPAC Name: copper (Z)-3-oxo-1-phenylbut-1-en-1-olate
SYSTEMATIC NAME: copper (Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate
MOLECULAR FORMULA: C20H18CuO4
MOLECULAR WEIGHT: 385.90052
SMILES: CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Cu+2]
Structure:
CAS RN: 14024-61-4
CAS Name: (Z)-4-oxo-2-penten-2-olate; palladium(2+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; palladium(2+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; palladium(2+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; palladium(2+)
MOLECULAR FORMULA: C10H14O4Pd
MOLECULAR WEIGHT: 304.63576
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Pd+2]
Structure:
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