CAS RN: 89246-76-4
CAS Name: (4Z)-4-(1-aminoethylidene)-1-propan-2-yloxy-5,6,7,8-tetrahydroisoquinolin-3-one
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-1-isopropoxy-5,6,7,8-tetrahydroisoquinolin-3-one
IUPAC Name: (4Z)-4-(1-aminoethylidene)-1-propan-2-yloxy-5,6,7,8-tetrahydroisoquinolin-3-one
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-1-propan-2-yloxy-5,6,7,8-tetrahydroisoquinolin-3-one
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CC(C)OC1=NC(=O)/C(=C(/C)\N)/C2=C1CCCC2
Structure:
CAS RN: 89246-75-3
CAS Name: (4Z)-4-(1-aminoethylidene)-1-propoxy-5,6,7,8-tetrahydroisoquinolin-3-one
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-1-propoxy-5,6,7,8-tetrahydroisoquinolin-3-one
IUPAC Name: (4Z)-4-(1-aminoethylidene)-1-propoxy-5,6,7,8-tetrahydroisoquinolin-3-one
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-1-propoxy-5,6,7,8-tetrahydroisoquinolin-3-one
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CCCOC1=NC(=O)/C(=C(/C)\N)/C2=C1CCCC2
Structure:
CAS RN: 89246-74-2
CAS Name: (4Z)-4-(1-aminoethylidene)-1-ethoxy-5,6,7,8-tetrahydroisoquinolin-3-one
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-1-ethoxy-5,6,7,8-tetrahydroisoquinolin-3-one
IUPAC Name: (4Z)-4-(1-aminoethylidene)-1-ethoxy-5,6,7,8-tetrahydroisoquinolin-3-one
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-1-ethoxy-5,6,7,8-tetrahydroisoquinolin-3-one
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CCOC1=NC(=O)/C(=C(/C)\N)/C2=C1CCCC2
Structure:
CAS RN: 89246-53-7
CAS Name: (4Z)-4-(1-aminoethylidene)-2-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine-1,3-dione
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-2-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine-1,3-dione
IUPAC Name: (4Z)-4-(1-aminoethylidene)-2-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine-1,3-dione
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-2-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine-1,3-dione
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CCN1C(=O)C2=C(CCCCC2)/C(=C(\C)/N)/C1=O
Structure:
CAS RN: 89246-51-5
CAS Name: (4Z)-4-(1-aminoethylidene)-2-hexyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-2-hexyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
IUPAC Name: (4Z)-4-(1-aminoethylidene)-2-hexyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-2-hexyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
MOLECULAR FORMULA: C17H26N2O2
MOLECULAR WEIGHT: 290.40054
SMILES: CCCCCCN1C(=O)C2=C(CCCC2)/C(=C(\C)/N)/C1=O
Structure:
CAS RN: 89246-50-4
CAS Name: (4Z)-4-(1-aminoethylidene)-2-butyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-2-butyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
IUPAC Name: (4Z)-4-(1-aminoethylidene)-2-butyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-2-butyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CCCCN1C(=O)C2=C(CCCC2)/C(=C(\C)/N)/C1=O
Structure:
CAS RN: 89246-48-0
CAS Name: (4Z)-4-(1-aminoethylidene)-2-ethyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-2-ethyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
IUPAC Name: (4Z)-4-(1-aminoethylidene)-2-ethyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-2-ethyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CCN1C(=O)C2=C(CCCC2)/C(=C(\C)/N)/C1=O
Structure:
CAS RN: 89246-47-9
CAS Name: (4Z)-4-(1-aminoethylidene)-2-methyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-2-methyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
IUPAC Name: (4Z)-4-(1-aminoethylidene)-2-methyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-2-methyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: C/C(=C/1\C2=C(CCCC2)C(=O)N(C1=O)C)/N
Structure:
CAS RN: 89246-43-5
CAS Name: (4Z)-4-(1-aminoethylidene)-2-propyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
OPENEYE Name: (4Z)-4-(1-aminoethylidene)-2-propyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
IUPAC Name: (4Z)-4-(1-aminoethylidene)-2-propyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
SYSTEMATIC NAME: (4Z)-4-(1-azanylethylidene)-2-propyl-5,6,7,8-tetrahydroisoquinoline-1,3-dione
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CCCN1C(=O)C2=C(CCCC2)/C(=C(\C)/N)/C1=O
Structure:
CAS RN: 88351-78-4
CAS Name: 4-nitro-N-[4-[oxo-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]methyl]phenyl]benzamide
OPENEYE Name: 4-nitro-N-[4-[[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]phenyl]benzamide
IUPAC Name: 4-nitro-N-[4-[[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]phenyl]benzamide
SYSTEMATIC NAME: 4-nitro-N-[4-[[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]phenyl]benzamide
MOLECULAR FORMULA: C21H16N4O5
MOLECULAR WEIGHT: 404.37554
SMILES: C1=C/C(=C/NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)C=C1
Structure:
CAS RN: 88296-61-1
CAS Name: 5-methyl-1H-1,6-naphthyridin-2-one
OPENEYE Name: 5-methyl-1H-1,6-naphthyridin-2-one
IUPAC Name: 5-methyl-1H-1,6-naphthyridin-2-one
SYSTEMATIC NAME: 5-methyl-1H-1,6-naphthyridin-2-one
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CC1=NC=CC2=C1C=CC(=O)N2
Structure:
CAS RN: 87333-19-5
CAS Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
OPENEYE Name: (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
SYSTEMATIC NAME: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C23H32N2O5
MOLECULAR WEIGHT: 416.51058
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O
Structure:
CAS RN: 126613-39-6
CAS Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
OPENEYE Name: (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
SYSTEMATIC NAME: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C23H32N2O5
MOLECULAR WEIGHT: 416.51058
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O
Structure:
CAS RN: 86541-75-5
CAS Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
OPENEYE Name: 2-[(3S)-3-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid
MOLECULAR FORMULA: C24H28N2O5
MOLECULAR WEIGHT: 424.48952
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O
Structure:
CAS RN: 86541-74-4
CAS Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride
OPENEYE Name: 2-[(3S)-3-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride
IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride
SYSTEMATIC NAME: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid hydrochloride
MOLECULAR FORMULA: C24H29ClN2O5
MOLECULAR WEIGHT: 460.95046
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl
Structure:
CAS RN: 76547-98-3
CAS Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C21H31N3O5
MOLECULAR WEIGHT: 405.48794
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O
Structure:
CAS RN: 77726-95-5
CAS Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C21H31N3O5
MOLECULAR WEIGHT: 405.48794
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O
Structure:
CAS RN: 83915-83-7
CAS Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid dihydrate
OPENEYE Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate
IUPAC Name: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate
SYSTEMATIC NAME: (2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate
MOLECULAR FORMULA: C21H35N3O7
MOLECULAR WEIGHT: 441.5185
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O
Structure:
CAS RN: 83435-66-9
CAS Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-indan-2-yl-amino]acetic acid
IUPAC Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C26H32N2O5
MOLECULAR WEIGHT: 452.54268
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2
Structure:
CAS RN: 83435-67-0
CAS Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]amino]acetic acid hydrochloride
OPENEYE Name: 2-[[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-indan-2-yl-amino]acetic acid hydrochloride
IUPAC Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid hydrochloride
SYSTEMATIC NAME: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]amino]ethanoic acid hydrochloride
MOLECULAR FORMULA: C26H33ClN2O5
MOLECULAR WEIGHT: 489.00362
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl
Structure:
CAS RN: 119543-18-9
CAS Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]amino]acetic acid hydrochloride
OPENEYE Name: 2-[[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-indan-2-yl-amino]acetic acid hydrochloride
IUPAC Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid hydrochloride
SYSTEMATIC NAME: 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]amino]ethanoic acid hydrochloride
MOLECULAR FORMULA: C26H33ClN2O5
MOLECULAR WEIGHT: 489.00362
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl
Structure:
CAS RN: 82547-81-7
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(5-methyl-2-tetrazolyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C22H27N9O7S2
MOLECULAR WEIGHT: 593.63588
SMILES: CC1=NN(N=N1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C
Structure:
CAS RN: 81963-87-3
CAS Name: (6E)-2,4-dibromo-6-[4-(1-piperidinylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-2,4-dibromo-6-[4-(1-piperidylmethyl)-5-thioxo-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-2,4-dibromo-6-[4-(piperidin-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-2,4-bis(bromanyl)-6-[4-(piperidin-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H15Br2N3O2S
MOLECULAR WEIGHT: 449.1608
SMILES: C1CCN(CC1)CN2C(=S)O/C(=C/3\C=C(C=C(C3=O)Br)Br)/N2
Structure:
CAS RN: 80018-06-0
CAS Name: (6Z)-6-[butylamino-(2-chlorophenyl)methylidene]-4-chloro-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[butylamino-(2-chlorophenyl)methylene]-4-chloro-cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[butylamino-(2-chlorophenyl)methylidene]-4-chlorocyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[butylamino-(2-chlorophenyl)methylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C17H17Cl2NO
MOLECULAR WEIGHT: 322.22898
SMILES: CCCCN/C(=C\1/C=C(C=CC1=O)Cl)/C2=CC=CC=C2Cl
Structure:
CAS RN: 79350-37-1
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(carboxymethoxyimino)-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-hydroxy-2-oxoethyloxyimino)ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H15N5O7S2
MOLECULAR WEIGHT: 453.4496
SMILES: C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O
Structure:
CAS RN: 100482-32-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H12K2N4O12
MOLECULAR WEIGHT: 638.57898
SMILES: C1=CC(=CC=C1C=C2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-])O.[K+].[K+]
Structure:
CAS RN: 78472-86-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H12K2N4O12
MOLECULAR WEIGHT: 638.57898
SMILES: C1=CC(=CC=C1C=C2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-])O.[K+].[K+]
Structure:
CAS RN: 78205-28-4
CAS Name: N'-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitro-2-furancarbohydrazide
OPENEYE Name: N'-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitro-furan-2-carbohydrazide
IUPAC Name: N'-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitrofuran-2-carbohydrazide
SYSTEMATIC NAME: N'-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitro-furan-2-carbohydrazide
MOLECULAR FORMULA: C9H10N4O4
MOLECULAR WEIGHT: 238.2001
SMILES: C1CC(=NC1)NNC(=O)C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 78186-39-7
CAS Name: [1-[3-(2-isoquinolin-2-iumyl)propyl]-4-pyridinylidene]methyl-oxoammonium dibromide
OPENEYE Name: [1-(3-isoquinolin-2-ium-2-ylpropyl)-4-pyridylidene]methyl-oxo-ammonium dibromide
IUPAC Name: [1-(3-isoquinolin-2-ium-2-ylpropyl)pyridin-4-ylidene]methyl-oxoazanium dibromide
SYSTEMATIC NAME: [1-(3-isoquinolin-2-ium-2-ylpropyl)pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide
MOLECULAR FORMULA: C18H19Br2N3O
MOLECULAR WEIGHT: 453.17096
SMILES: C1=CC=C2C=[N+](C=CC2=C1)CCCN3C=CC(=C[NH+]=O)C=C3.[Br-].[Br-]
Structure:
CAS RN: 77287-90-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H35NO4S
MOLECULAR WEIGHT: 433.604
SMILES: C[C@H]1CC(=C)CC23C1[C@@H](CC4=C2C=C(C=C4)O)N(CC3)CC5CCC5.CS(=O)(=O)O
Structure:
CAS RN: 172964-46-4
CAS Name: (2S)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[(1R)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H28N2O5
MOLECULAR WEIGHT: 376.44672
SMILES: CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O
Structure:
CAS RN: 77549-58-7
CAS Name: (2S)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[(1R)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H28N2O5
MOLECULAR WEIGHT: 376.44672
SMILES: CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O
Structure:
CAS RN: 74817-61-1
CAS Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid butyl ester
OPENEYE Name: butyl (2R)-2-[[(2R)-2-[[(2S)-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoate
IUPAC Name: butyl (2R)-2-[[(2R)-2-[[(2S)-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoate
SYSTEMATIC NAME: butyl (2R)-2-[[(2R)-2-[[(2S)-2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C23H40N4O11
MOLECULAR WEIGHT: 548.5839
SMILES: CCCCOC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C)NC(=O)[C@H](C)OC1C(C(OC(C1O)CO)O)NC(=O)C
Structure:
CAS RN: 74693-69-9
CAS Name: 3,5,7,8-tetrahydroxy-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 3,5,7,8-tetrahydroxy-2-phenyl-chromen-4-one
IUPAC Name: 3,5,7,8-tetrahydroxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 3,5,7,8-tetrakis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C15H10O6
MOLECULAR WEIGHT: 286.2363
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O
Structure:
CAS RN: 74195-68-9
CAS Name: 3-(2,4-dioxo-1H-benzo[g]pteridin-9-yl)propyl-dimethylammonium chloride
OPENEYE Name: 3-(2,4-dioxo-1H-benzo[g]pteridin-9-yl)propyl-dimethyl-ammonium chloride
IUPAC Name: 3-(2,4-dioxo-1H-benzo[g]pteridin-9-yl)propyl-dimethylazanium chloride
SYSTEMATIC NAME: 3-[2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-9-yl]propyl-dimethyl-azanium chloride
MOLECULAR FORMULA: C15H18ClN5O2
MOLECULAR WEIGHT: 335.78872
SMILES: C[NH+](C)CCCC1=C2C(=CC=C1)N=C3C(=N2)NC(=O)NC3=O.[Cl-]
Structure:
CAS RN: 74195-66-7
CAS Name: 3-(6,7-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-9-yl)propyl-dimethylammonium chloride
OPENEYE Name: 3-(6,7-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-9-yl)propyl-dimethyl-ammonium chloride
IUPAC Name: 3-(6,7-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-9-yl)propyl-dimethylazanium chloride
SYSTEMATIC NAME: 3-[6,7-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-9-yl]propyl-dimethyl-azanium chloride
MOLECULAR FORMULA: C17H22ClN5O2
MOLECULAR WEIGHT: 363.84188
SMILES: CC1=CC(=C2C(=C1C)N=C3C(=N2)NC(=O)NC3=O)CCC[NH+](C)C.[Cl-]
Structure:
CAS RN: 73941-23-8
CAS Name: [[(1Z)-1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]amino]-trimethylammonium iodide
OPENEYE Name: [[(1Z)-1-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-trimethyl-ammonium iodide
IUPAC Name: [[(1Z)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-trimethylazanium iodide
SYSTEMATIC NAME: trimethyl-[[(1Z)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]azanium iodide
MOLECULAR FORMULA: C11H17IN2O2
MOLECULAR WEIGHT: 336.16935
SMILES: C/C(=C/1\C=CC(=O)C=C1O)/N[N+](C)(C)C.[I-]
Structure:
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