CAS RN: 73688-69-4
CAS Name: 1-ethyl-2-methyl-5-benzimidazolamine hydrochloride
OPENEYE Name: 1-ethyl-2-methyl-benzimidazol-5-amine hydrochloride
IUPAC Name: 1-ethyl-2-methylbenzimidazol-5-amine hydrochloride
SYSTEMATIC NAME: 1-ethyl-2-methyl-benzimidazol-5-amine hydrochloride
MOLECULAR FORMULA: C10H14ClN3
MOLECULAR WEIGHT: 211.69126
SMILES: CCN1C(=NC2=C1C=CC(=C2)N)C.Cl
Structure:
CAS RN: 247109-25-7
CAS Name: N-(2-methylpropyl)-1,1-dioxo-3-thiolanamine hydrochloride
OPENEYE Name: N-isobutyl-1,1-dioxo-thiolan-3-amine hydrochloride
IUPAC Name: N-(2-methylpropyl)-1,1-dioxothiolan-3-amine hydrochloride
SYSTEMATIC NAME: N-(2-methylpropyl)-1,1-bis(oxidanylidene)thiolan-3-amine hydrochloride
MOLECULAR FORMULA: C8H18ClNO2S
MOLECULAR WEIGHT: 227.75202
SMILES: CC(C)CNC1CCS(=O)(=O)C1.Cl
Structure:
CAS RN: 67815-54-7
CAS Name: 3,4,5-trifluoropyridine
OPENEYE Name: 3,4,5-trifluoropyridine
IUPAC Name: 3,4,5-trifluoropyridine
SYSTEMATIC NAME: 3,4,5-tris(fluoranyl)pyridine
MOLECULAR FORMULA: C5H2F3N
MOLECULAR WEIGHT: 133.07129
SMILES: C1=C(C(=C(C=N1)F)F)F
Structure:
CAS RN: 14391-73-2
CAS Name: copper-66
OPENEYE Name: copper-66
IUPAC Name: copper-66
SYSTEMATIC NAME: copper-66
MOLECULAR FORMULA: Cu
MOLECULAR WEIGHT: 65.928873
SMILES: [66Cu]
Structure:
CAS RN: 118496-37-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C61H40Cl2N10O5
MOLECULAR WEIGHT: 1063.9403
SMILES: CC1=C(C=CC(=C1)N=NC2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)N=NC5=CC(=C(C=C5)N=NC6=C(C(=CC7=CC=CC=C76)C(=O)NC8=CC=CC=C8Cl)O)C)N=NC9=C(C(=CC1=CC=CC=C19)C(=O)NC1=CC=CC=C1Cl)O
Structure:
CAS RN: 104987-36-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C68H50O44
MOLECULAR WEIGHT: 1571.0982
SMILES: C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OCC6C(C(C(C(O6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C95)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O
Structure:
CAS RN: 13465-96-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: AgO3P
MOLECULAR WEIGHT: 186.840161
SMILES: [O-]P(=O)=O.[Ag+]
Structure:
CAS RN: 11029-61-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C99H140N20O17
MOLECULAR WEIGHT: 1882.2947
SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC(C)C)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)C)N
Structure:
CAS RN: 20845-02-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C85H123N21O20
MOLECULAR WEIGHT: 1759.01482
SMILES: CCC(C)C(C(=O)NC(CC1=CNC=N1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CNC=N4)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)N
Structure:
CAS RN: 64315-16-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C85H123N21O20
MOLECULAR WEIGHT: 1759.01482
SMILES: CCC(C)C(C(=O)NC(CC1=CNC=N1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CNC=N4)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)N
Structure:
CAS RN: 104180-23-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C83H122N24O19
MOLECULAR WEIGHT: 1760.00618
SMILES: CCC(C)C(C(=O)NC(CC1=CNC=N1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CNC=N4)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC5=CNC=N5)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)N
Structure:
CAS RN: 128315-56-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C89H139N27O24S4
MOLECULAR WEIGHT: 2099.48246
SMILES: CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)O)CCCNC(=N)N)CC5=CC=C(C=C5)O)C(C)C)
Structure:
CAS RN: 67382-96-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C89H139N27O24S4
MOLECULAR WEIGHT: 2099.48246
SMILES: CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)O)CCCNC(=N)N)CC5=CC=C(C=C5)O)C(C)C)
Structure:
CAS RN: 15551-60-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: CaNaO9P3
MOLECULAR WEIGHT: 299.983653
SMILES: [O-]P(=O)=O.[O-]P(=O)=O.[O-]P(=O)=O.[Na+].[Ca+2]
Structure:
CAS RN: 13573-12-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: MgO6P2
MOLECULAR WEIGHT: 182.248922
SMILES: [O-]P(=O)=O.[O-]P(=O)=O.[Mg+2]
Structure:
CAS RN: 16960-16-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C136H210N40O31S
MOLECULAR WEIGHT: 2933.437
SMILES: CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCNC(=N)N
Structure:
CAS RN: 60893-02-9
CAS Name: 2-[[2-[[2-[[2-[[[1-[2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-h
OPENEYE Name: 2-[[2-[[2-[[2-[[1-[2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]a
IUPAC Name: 2-[[2-[[2-[[2-[[1-[2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino
SYSTEMATIC NAME: 2-[[2-[[2-[[2-[[1-[2-[[5-azanyl-2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propan
MOLECULAR FORMULA: C83H131N19O27S
MOLECULAR WEIGHT: 1859.10434
SMILES: CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 61512-77-4
CAS Name: 2-[[2-[[2-[[2-[[[1-[2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-h
OPENEYE Name: 2-[[2-[[2-[[2-[[1-[2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]a
IUPAC Name: 2-[[2-[[2-[[2-[[1-[2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino
SYSTEMATIC NAME: 2-[[2-[[2-[[2-[[1-[2-[[5-azanyl-2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propan
MOLECULAR FORMULA: C83H131N19O27S
MOLECULAR WEIGHT: 1859.10434
SMILES: CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 17034-35-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C130H220N44O41
MOLECULAR WEIGHT: 3055.408
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]
Structure:
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