CAS RN: 109232-77-1
CAS Name: acetic acid [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-yl]oxy]-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6S)-6-[2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C29H32O15
MOLECULAR WEIGHT: 620.55538
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=C4C(=CC(=C3)O)OC(=CC4=O)C5=CC=C(C=C5)O)COC(=O)C)O)O)O
Structure:
CAS RN: 109232-76-0
CAS Name: 5-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O14
MOLECULAR WEIGHT: 578.5187
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=C4C(=CC(=C3)O)OC(=CC4=O)C5=CC=C(C=C5)O)CO)O)O)O
Structure:
CAS RN: 109026-86-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H31NO2
MOLECULAR WEIGHT: 401.54054
SMILES: C1CC1CN2CCC34CC(=O)CCC3([C@H]2CC5=C4C=C(C=C5)O)CC6=CC=CC=C6
Structure:
CAS RN: 108906-96-3
CAS Name: 3-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
Structure:
CAS RN: 29859-91-4
CAS Name: 3-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
Structure:
CAS RN: 108672-06-6
CAS Name: (Z)-2-diazonio-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]ethenolate
OPENEYE Name: (Z)-2-diazonio-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]ethenolate
IUPAC Name: (Z)-2-diazonio-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethenolate
SYSTEMATIC NAME: (Z)-2-diazonio-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethenolate
MOLECULAR FORMULA: C8H12N2O6
MOLECULAR WEIGHT: 232.19068
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)/C(=C/[N+]#N)/[O-])O)O)O)O
Structure:
CAS RN: 127564-71-0
CAS Name: [4-[2-(diaminomethylidene)hydrazinyl]-2-methylphenyl]iminothiourea
OPENEYE Name: [4-[2-(diaminomethylene)hydrazino]-2-methyl-phenyl]iminothiourea
IUPAC Name: [4-[2-(diaminomethylidene)hydrazinyl]-2-methylphenyl]iminothiourea
SYSTEMATIC NAME: 1-[4-[2-[bis(azanyl)methylidene]hydrazinyl]-2-methyl-phenyl]iminothiourea
MOLECULAR FORMULA: C9H13N7S
MOLECULAR WEIGHT: 251.31142
SMILES: CC1=C(C=CC(=C1)NN=C(N)N)N=NC(=S)N
Structure:
CAS RN: 127363-91-1
CAS Name: 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-1-ox
OPENEYE Name: methyl 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-2
IUPAC Name: methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]p
SYSTEMATIC NAME: methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]p
MOLECULAR FORMULA: C42H76N8O11
MOLECULAR WEIGHT: 869.09984
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
Structure:
CAS RN: 126876-64-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H25N3O3S
MOLECULAR WEIGHT: 471.5707
SMILES: C1CC1CN2CCC34[C@H]5C6=C(C[C@@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)N=C=S
Structure:
CAS RN: 74077-25-1
CAS Name: (5E)-7-bromo-5-(2-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one
OPENEYE Name: (5E)-7-bromo-5-(2-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one
IUPAC Name: (5E)-7-bromo-5-(2-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: (5E)-7-bromanyl-5-(2-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C15H10BrClN2O2
MOLECULAR WEIGHT: 365.6091
SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)/C(=C\3/C(=O)C=CC=C3Cl)/N1
Structure:
CAS RN: 125991-51-7
CAS Name: (2S)-2-[[[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[3-[2,4-bis(azanyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H24N6O5
MOLECULAR WEIGHT: 440.45246
SMILES: C1=CC(=CC=C1CCCC2=CNC3=C2C(=NC(=N3)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 125836-69-3
CAS Name: 2-(4-fluorophenyl)-5-[(1S)-1-isocyanatoethyl]-1,3-benzoxazole
OPENEYE Name: 2-(4-fluorophenyl)-5-[(1S)-1-isocyanatoethyl]-1,3-benzoxazole
IUPAC Name: 2-(4-fluorophenyl)-5-[(1S)-1-isocyanatoethyl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-(4-fluorophenyl)-5-[(1S)-1-isocyanatoethyl]-1,3-benzoxazole
MOLECULAR FORMULA: C16H11FN2O2
MOLECULAR WEIGHT: 282.269143
SMILES: C[C@@H](C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)F)N=C=O
Structure:
CAS RN: 115666-98-3
CAS Name: 6-[(1R)-1-[(2R)-3-hydroxy-2-methoxy-1-oxopropoxy]ethyl]-1-phenazinecarboxylic acid
OPENEYE Name: 6-[(1R)-1-[(2R)-3-hydroxy-2-methoxy-propanoyl]oxyethyl]phenazine-1-carboxylic acid
IUPAC Name: 6-[(1R)-1-[(2R)-3-hydroxy-2-methoxypropanoyl]oxyethyl]phenazine-1-carboxylic acid
SYSTEMATIC NAME: 6-[(1R)-1-[(2R)-2-methoxy-3-oxidanyl-propanoyl]oxyethyl]phenazine-1-carboxylic acid
MOLECULAR FORMULA: C19H18N2O6
MOLECULAR WEIGHT: 370.35602
SMILES: C[C@H](C1=CC=CC2=NC3=C(C=CC=C3N=C21)C(=O)O)OC(=O)[C@@H](CO)OC
Structure:
CAS RN: 113634-09-6
CAS Name: copper N,N'-bis(2-imidazolylidenemethyl)butane-1,4-diamine
OPENEYE Name: copper N,N'-bis(imidazol-2-ylidenemethyl)butane-1,4-diamine
IUPAC Name: copper N,N'-bis(imidazol-2-ylidenemethyl)butane-1,4-diamine
SYSTEMATIC NAME: copper N,N'-bis(imidazol-2-ylidenemethyl)butane-1,4-diamine
MOLECULAR FORMULA: C12H16CuN6+2
MOLECULAR WEIGHT: 307.84164
SMILES: C1=NC(=CNCCCCNC=C2N=CC=N2)N=C1.[Cu+2]
Structure:
CAS RN: 112105-54-1
CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]propanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoate
IUPAC Name: ethyl (2S)-2-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoate
SYSTEMATIC NAME: ethyl (2S)-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]pentanoyl]amino]propanoate
MOLECULAR FORMULA: C19H35N3O6
MOLECULAR WEIGHT: 401.4977
SMILES: CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Structure:
CAS RN: 111316-27-9
CAS Name: 8,9-dimethoxy-4-methyl-1H-indeno[3,2-b]pyridine-5,7-dione
OPENEYE Name: 8,9-dimethoxy-4-methyl-1H-indeno[3,2-b]pyridine-5,7-dione
IUPAC Name: 8,9-dimethoxy-4-methyl-1H-indeno[3,2-b]pyridine-5,7-dione
SYSTEMATIC NAME: 8,9-dimethoxy-4-methyl-1H-indeno[3,2-b]pyridine-5,7-dione
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: CC1=C2C(=C3C(=CC(=O)C(=C3OC)OC)C2=O)NC=C1
Structure:
CAS RN: 110999-53-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H17N5O4
MOLECULAR WEIGHT: 355.34798
SMILES: C1=CC2=NC3=C(C=CC4=C3C(=C2C=C1O)NN4CCNCCO)[N+](=O)[O-]
Structure:
CAS RN: 110007-19-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H26O8
MOLECULAR WEIGHT: 442.45844
SMILES: CCCCCCCCCCOC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O)O
Structure:
CAS RN: 109640-20-2
CAS Name: 2-[4-[(1R,2R)-1,2-diphenylbutyl]phenoxy]-N,N-dimethylethanamine
OPENEYE Name: 2-[4-[(1R,2R)-1,2-diphenylbutyl]phenoxy]-N,N-dimethyl-ethanamine
IUPAC Name: 2-[4-[(1R,2R)-1,2-diphenylbutyl]phenoxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[4-[(1R,2R)-1,2-diphenylbutyl]phenoxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C26H31NO
MOLECULAR WEIGHT: 373.53044
SMILES: CC[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)OCCN(C)C
Structure:
CAS RN: 125753-03-9
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]a
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amin
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl
MOLECULAR FORMULA: C44H70N14O12
MOLECULAR WEIGHT: 987.1132
SMILES: C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 125709-32-2
CAS Name: 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-5-methoxy-1-benzopyran-4-one
OPENEYE Name: 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-5-methoxy-chromen-4-one
IUPAC Name: 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-5-methoxychromen-4-one
SYSTEMATIC NAME: 5-methoxy-3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: 368.3799
SMILES: CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)OC)O)O)O)C
Structure:
CAS RN: 125636-77-3
CAS Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoeth
OPENEYE Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-h
IUPAC Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydrox
SYSTEMATIC NAME: (2S)-5-azanyl-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]e
MOLECULAR FORMULA: C36H60N14O21
MOLECULAR WEIGHT: 1024.9428
SMILES: C[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 125412-04-6
CAS Name: (2R)-2-(2-hydroxyethylamino)propanoic acid
OPENEYE Name: (2R)-2-(2-hydroxyethylamino)propanoic acid
IUPAC Name: (2R)-2-(2-hydroxyethylamino)propanoic acid
SYSTEMATIC NAME: (2R)-2-(2-hydroxyethylamino)propanoic acid
MOLECULAR FORMULA: C5H11NO3
MOLECULAR WEIGHT: 133.14574
SMILES: C[C@H](C(=O)O)NCCO
Structure:
CAS RN: 125399-14-6
CAS Name: N-[(2S)-1-[[(2S)-2-[(3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl)amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
OPENEYE Name: N-[(1S)-1-benzyl-2-[[(2S)-2-[[1-(cyclohexylmethyl)-2-dimethoxyphosphoryl-2-hydroxy-ethyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-ethyl]cyclopentanecarboxamide
IUPAC Name: N-[(2S)-1-[[(2S)-2-[(3-cyclohexyl-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl)amino]-4-methylpentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[(2S)-2-[(3-cyclohexyl-1-dimethoxyphosphoryl-1-oxidanyl-propan-2-yl)amino]-4-methyl-pentanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]cyclopentanecarboxamide
MOLECULAR FORMULA: C32H52N3O7P
MOLECULAR WEIGHT: 621.744941
SMILES: CC(C)C[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCCC2)NC(CC3CCCCC3)C(O)P(=O)(OC)OC
Structure:
CAS RN: 125316-77-0
CAS Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-oxobutyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanoyl]amino]propanoyl]amino]propanoate
IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]propanoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-butanoyl]amino]propanoyl]amino]propanoate
MOLECULAR FORMULA: C21H36N4O11
MOLECULAR WEIGHT: 520.53074
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)NC(=O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C
Structure:
CAS RN: 124886-01-7
CAS Name: 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
OPENEYE Name: 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
IUPAC Name: 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SYSTEMATIC NAME: 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
MOLECULAR FORMULA: C12H11N3O
MOLECULAR WEIGHT: 213.23524
SMILES: CC1=C(C2=CC3=C(NC(=O)N3)N=C2C=C1)C
Structure:
CAS RN: 124756-83-8
CAS Name: (3S)-3-amino-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid
OPENEYE Name: (3S)-3-amino-5-[[(1S)-1-carboxyethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (3S)-3-amino-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-5-oxidanylidene-5-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
MOLECULAR FORMULA: C8H14N2O5
MOLECULAR WEIGHT: 218.20716
SMILES: C[C@@H](C(=O)O)NC(=O)C[C@@H](CC(=O)O)N
Structure:
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