CAS RN: 205243-77-2
CAS Name: 2-hydroxy-2-(2-octadecoxy-2-oxoethyl)butanedioate
OPENEYE Name: 2-hydroxy-2-(2-octadecoxy-2-oxo-ethyl)butanedioate
IUPAC Name: 2-hydroxy-2-(2-octadecoxy-2-oxoethyl)butanedioate
SYSTEMATIC NAME: 2-(2-octadecoxy-2-oxidanylidene-ethyl)-2-oxidanyl-butanedioate
MOLECULAR FORMULA: C24H42O7-2
MOLECULAR WEIGHT: 442.58608
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)[O-])(C(=O)[O-])O
Structure:
CAS RN: 1335-66-6
CAS Name: 2,4,6-trimethyl-1-cyclohex-3-enecarboxaldehyde; 3,5,6-trimethyl-1-cyclohex-3-enecarboxaldehyde
OPENEYE Name: 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde; 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
IUPAC Name: 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde; 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
SYSTEMATIC NAME: 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde; 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: CC1CC(=CC(C1C=O)C)C.CC1C=C(CC(C1C)C=O)C
Structure:
CAS RN: 1321-57-9
CAS Name: 2-hydroxy-2-(2-oxo-2-propan-2-yloxyethyl)butanedioate
OPENEYE Name: 2-hydroxy-2-(2-isopropoxy-2-oxo-ethyl)butanedioate
IUPAC Name: 2-hydroxy-2-(2-oxo-2-propan-2-yloxyethyl)butanedioate
SYSTEMATIC NAME: 2-oxidanyl-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)butanedioate
MOLECULAR FORMULA: C9H12O7-2
MOLECULAR WEIGHT: 232.18738
SMILES: CC(C)OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O
Structure:
CAS RN: 37205-85-9
CAS Name: decanoic acid methyl ester; octanoic acid methyl ester
OPENEYE Name: methyl decanoate; methyl octanoate
IUPAC Name: methyl decanoate; methyl octanoate
SYSTEMATIC NAME: methyl decanoate; methyl octanoate
MOLECULAR FORMULA: C20H40O4
MOLECULAR WEIGHT: 344.5292
SMILES: CCCCCCCCCC(=O)OC.CCCCCCCC(=O)OC
Structure:
CAS RN: 37244-70-5
CAS Name: decanoic acid methyl ester; octanoic acid methyl ester
OPENEYE Name: methyl decanoate; methyl octanoate
IUPAC Name: methyl decanoate; methyl octanoate
SYSTEMATIC NAME: methyl decanoate; methyl octanoate
MOLECULAR FORMULA: C20H40O4
MOLECULAR WEIGHT: 344.5292
SMILES: CCCCCCCCCC(=O)OC.CCCCCCCC(=O)OC
Structure:
CAS RN: 65887-08-3
CAS Name: (E)-2-[(methylthio)methyl]-3-phenyl-2-propenal
OPENEYE Name: (E)-2-(methylsulfanylmethyl)-3-phenyl-prop-2-enal
IUPAC Name: (E)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal
SYSTEMATIC NAME: (E)-2-(methylsulfanylmethyl)-3-phenyl-prop-2-enal
MOLECULAR FORMULA: C11H12OS
MOLECULAR WEIGHT: 192.27738
SMILES: CSC/C(=C/C1=CC=CC=C1)/C=O
Structure:
CAS RN: 12179-04-3
CAS Name: sodium tetraborate pentahydrate
OPENEYE Name: sodium tetraborate pentahydrate
IUPAC Name: sodium tetraborate pentahydrate
SYSTEMATIC NAME: sodium tetraborate pentahydrate
MOLECULAR FORMULA: B4H10NaO17-11
MOLECULAR WEIGHT: 348.30297
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].O.O.O.O.O.[Na+]
Structure:
CAS RN: 12008-41-2
CAS Name: disodium octaborate
OPENEYE Name: disodium octaborate
IUPAC Name: disodium octaborate
SYSTEMATIC NAME: disodium octaborate
MOLECULAR FORMULA: B8Na2O24-22
MOLECULAR WEIGHT: 516.45314
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 163751-31-3
CAS Name: disodium octaborate
OPENEYE Name: disodium octaborate
IUPAC Name: disodium octaborate
SYSTEMATIC NAME: disodium octaborate
MOLECULAR FORMULA: B8Na2O24-22
MOLECULAR WEIGHT: 516.45314
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 180472-48-4
CAS Name: disodium octaborate
OPENEYE Name: disodium octaborate
IUPAC Name: disodium octaborate
SYSTEMATIC NAME: disodium octaborate
MOLECULAR FORMULA: B8Na2O24-22
MOLECULAR WEIGHT: 516.45314
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 37195-63-4
CAS Name: disodium octaborate
OPENEYE Name: disodium octaborate
IUPAC Name: disodium octaborate
SYSTEMATIC NAME: disodium octaborate
MOLECULAR FORMULA: B8Na2O24-22
MOLECULAR WEIGHT: 516.45314
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 12007-92-0
CAS Name: sodium pentaborate
OPENEYE Name: sodium pentaborate
IUPAC Name: sodium pentaborate
SYSTEMATIC NAME: sodium pentaborate
MOLECULAR FORMULA: B5NaO15-14
MOLECULAR WEIGHT: 317.03577
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+]
Structure:
CAS RN: 163751-28-8
CAS Name: sodium pentaborate
OPENEYE Name: sodium pentaborate
IUPAC Name: sodium pentaborate
SYSTEMATIC NAME: sodium pentaborate
MOLECULAR FORMULA: B5NaO15-14
MOLECULAR WEIGHT: 317.03577
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+]
Structure:
CAS RN: 39326-63-1
CAS Name: sodium pentaborate
OPENEYE Name: sodium pentaborate
IUPAC Name: sodium pentaborate
SYSTEMATIC NAME: sodium pentaborate
MOLECULAR FORMULA: B5NaO15-14
MOLECULAR WEIGHT: 317.03577
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+]
Structure:
CAS RN: 933447-02-0
CAS Name: sodium pentaborate
OPENEYE Name: sodium pentaborate
IUPAC Name: sodium pentaborate
SYSTEMATIC NAME: sodium pentaborate
MOLECULAR FORMULA: B5NaO15-14
MOLECULAR WEIGHT: 317.03577
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[Na+]
Structure:
CAS RN: 154855-73-9
CAS Name: ammonium pentaborate
OPENEYE Name: ammonium pentaborate
IUPAC Name: azanium pentaborate
SYSTEMATIC NAME: azanium pentaborate
MOLECULAR FORMULA: B5H4NO15-14
MOLECULAR WEIGHT: 312.08446
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[NH4+]
Structure:
CAS RN: 1332-07-6
CAS Name: zinc borate
OPENEYE Name: zinc borate
IUPAC Name: zinc borate
SYSTEMATIC NAME: zinc borate
MOLECULAR FORMULA: BO3Zn-
MOLECULAR WEIGHT: 124.2182
SMILES: B([O-])([O-])[O-].[Zn+2]
Structure:
CAS RN: 37221-82-2
CAS Name: zinc borate
OPENEYE Name: zinc borate
IUPAC Name: zinc borate
SYSTEMATIC NAME: zinc borate
MOLECULAR FORMULA: BO3Zn-
MOLECULAR WEIGHT: 124.2182
SMILES: B([O-])([O-])[O-].[Zn+2]
Structure:
CAS RN: 59330-52-8
CAS Name: zinc borate
OPENEYE Name: zinc borate
IUPAC Name: zinc borate
SYSTEMATIC NAME: zinc borate
MOLECULAR FORMULA: BO3Zn-
MOLECULAR WEIGHT: 124.2182
SMILES: B([O-])([O-])[O-].[Zn+2]
Structure:
CAS RN: 914462-92-3
CAS Name: (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-4,9-diazaspiro[4.5]decan-3-one hydrate hydrochloride
OPENEYE Name: (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-4,9-diazaspiro[4.5]decan-3-one hydrate hydrochloride
IUPAC Name: (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-4,9-diazaspiro[4.5]decan-3-one hydrate hydrochloride
SYSTEMATIC NAME: (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-4,9-diazaspiro[4.5]decan-3-one hydrate hydrochloride
MOLECULAR FORMULA: C25H29ClF6N2O3
MOLECULAR WEIGHT: 554.952779
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4.O.Cl
Structure:
CAS RN: 201227-38-5
CAS Name: 5-bromo-2H-indazole-3-carboxaldehyde
OPENEYE Name: 5-bromo-2H-indazole-3-carbaldehyde
IUPAC Name: 5-bromo-2H-indazole-3-carbaldehyde
SYSTEMATIC NAME: 5-bromanyl-2H-indazole-3-carbaldehyde
MOLECULAR FORMULA: C8H5BrN2O
MOLECULAR WEIGHT: 225.0421
SMILES: C1=CC2=NNC(=C2C=C1Br)C=O
Structure:
CAS RN: 334477-60-0
CAS Name: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethanamine
OPENEYE Name: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-ethanamine
IUPAC Name: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethanamine
SYSTEMATIC NAME: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-ethanamine
MOLECULAR FORMULA: C11H11F6N
MOLECULAR WEIGHT: 271.202159
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC
Structure:
CAS RN: 200074-80-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C182H310N40O35
MOLECULAR WEIGHT: 3618.6558
SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)
Structure:
CAS RN: 474242-11-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C182H310N40O35
MOLECULAR WEIGHT: 3618.6558
SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)
Structure:
CAS RN: 91032-26-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C88H97Cl2N9O33
MOLECULAR WEIGHT: 1879.65828
SMILES: CC(C)CCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1)O)OC1=C(C=CC(=C1)[C@H](C(=O)N[C@H](CC1=CC(=C(O3)C=C1)Cl)C(=O)N9)N)O)O)
Structure:
CAS RN: 6370-78-1
CAS Name: N1,N3-bis(5-benzamido-9,10-dioxo-1-anthracenyl)benzene-1,3-dicarboxamide
OPENEYE Name: N1,N3-bis(5-benzamido-9,10-dioxo-1-anthryl)benzene-1,3-dicarboxamide
IUPAC Name: 1-N,3-N-bis(5-benzamido-9,10-dioxoanthracen-1-yl)benzene-1,3-dicarboxamide
SYSTEMATIC NAME: N1,N3-bis[5-benzamido-9,10-bis(oxidanylidene)anthracen-1-yl]benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C50H30N4O8
MOLECULAR WEIGHT: 814.7952
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC(=CC=C5)C(=O)NC6=CC=CC7=C6C(=O)C8=C(C7=O)C(=CC=C8)NC(=O)C9=CC=CC=C9
Structure:
CAS RN: 6370-77-0
CAS Name: N3-(4-benzamido-9,10-dioxo-1-anthracenyl)-N1-(5-benzamido-9,10-dioxo-1-anthracenyl)benzene-1,3-dicarboxamide
OPENEYE Name: N3-(4-benzamido-9,10-dioxo-1-anthryl)-N1-(5-benzamido-9,10-dioxo-1-anthryl)benzene-1,3-dicarboxamide
IUPAC Name: 3-N-(4-benzamido-9,10-dioxoanthracen-1-yl)-1-N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzene-1,3-dicarboxamide
SYSTEMATIC NAME: N3-[4-benzamido-9,10-bis(oxidanylidene)anthracen-1-yl]-N1-[5-benzamido-9,10-bis(oxidanylidene)anthracen-1-yl]benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C50H30N4O8
MOLECULAR WEIGHT: 814.7952
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC(=O)C4=CC=CC(=C4)C(=O)NC5=CC=CC6=C5C(=O)C7=C(C6=O)C(=CC=C7)NC(=O)C8=CC=CC=C8)C(=O)C9=CC=CC=C9C3=O
Structure:
CAS RN: 3274-73-5
CAS Name: N-[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[2-[[(2S)-2-[[[(2S)-1-[(2R)-2-amino-1-oxo-3-(phenylmethylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopent
OPENEYE Name: benzyl N-[(1R)-2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-benzylsulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]acetyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-
IUPAC Name: benzyl N-[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-benzylsulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1-[2-[[(2S)-2-[[(2S)-1-[(2R)-2-azanyl-3-(phenylmethylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoylamino]-1,4-bis(oxidanylidene)butan-2-yl
MOLECULAR FORMULA: C65H86N12O14S2
MOLECULAR WEIGHT: 1323.58034
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCC2=CC=CC=C2)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CSCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5
Structure:
CAS RN: 2469-87-6
CAS Name: N-[5-[[4-[(5-benzamido-9,10-dioxo-1-anthracenyl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-9,10-dioxo-1-anthracenyl]benzamide
OPENEYE Name: N-[5-[[4-[(5-benzamido-9,10-dioxo-1-anthryl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-9,10-dioxo-1-anthryl]benzamide
IUPAC Name: N-[5-[[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
SYSTEMATIC NAME: N-[5-[[4-[[5-benzamido-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-9,10-bis(oxidanylidene)anthracen-1-yl]benzamide
MOLECULAR FORMULA: C51H31N7O7
MOLECULAR WEIGHT: 853.83454
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=NC(=NC(=N5)OC6=CC=CC=C6)NC7=CC=CC8=C7C(=O)C9=C(C8=O)C(=CC=C9)NC(=O)C1=CC=CC=C1
Structure:
CAS RN: 179910-83-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C95H121N19O26
MOLECULAR WEIGHT: 1945.08894
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)CCCC(=O)NCCCC[C@H](C(=O)NC(CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CNC9=CC=
Structure:
CAS RN: 103088-28-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C78H111N21O19
MOLECULAR WEIGHT: 1646.84524
SMILES: CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)
Structure:
CAS RN: 162112-36-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C78H111N21O19
MOLECULAR WEIGHT: 1646.84524
SMILES: CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)
Structure:
CAS RN: 272781-22-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C78H111N21O19
MOLECULAR WEIGHT: 1646.84524
SMILES: CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)
Structure:
CAS RN: 75921-69-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C78H111N21O19
MOLECULAR WEIGHT: 1646.84524
SMILES: CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)
Structure:
CAS RN: 75664-17-4
CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid [(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]-1-benzopyran-8-yl]-4-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enoxy]-5-[(E)-3-(4-hydr
OPENEYE Name: [(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-8-yl]-4-[(Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxy-5-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxy-2-(hydroxy
IUPAC Name: [(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-8-yl]-4-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-5-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2-(hydroxymethyl)oxan-3
SYSTEMATIC NAME: [(2R,3S,4R,5S,6S)-4-[(Z)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-5-[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-6-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-
MOLECULAR FORMULA: C59H58O26
MOLECULAR WEIGHT: 1183.07622
SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)/C=C\C3=CC(=C(C(=C3)OC)O)OC)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)C5=C(C(=C(C6=C5OC(=CC6=O)C7=CC=C(C=C7)O)O)[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)O)CO
Structure:
CAS RN: 185229-68-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C192H225N75O98P19S19-19
MOLECULAR WEIGHT: 6349.021059
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)([O-])O[C@H]3C[C@@H](O[C@@H]3COP(=S)([O-])O[C@H]4C[C@@H](O[C@@H]4COP(=S)([O-])O[C@H]5C[C@@H](O[C@@H]5COP(=S)([O-])O[C@H]6C[C@@H](O[C@@H]6COP(=S)([O-])O[C@H]7C[C@@H](O[C@@H]7COP(=S)([O-])O[C@H]8C[C@@H](O[C@@H
Structure:
CAS RN: 331257-52-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C192H225N75Na19O98P19S19
MOLECULAR WEIGHT: 6785.826689
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)([O-])O[C@H]3C[C@@H](O[C@@H]3COP(=S)([O-])O[C@H]4C[C@@H](O[C@@H]4COP(=S)([O-])O[C@H]5C[C@@H](O[C@@H]5COP(=S)([O-])O[C@H]6C[C@@H](O[C@@H]6COP(=S)([O-])O[C@H]7C[C@@H](O[C@@H]7COP(=S)([O-])O[C@H]8C[C@@H](O[C@@H
Structure:
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