CAS RN: 141205-31-4
CAS Name: acetic acid [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyl-1-oxooctyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-
OPENEYE Name: [(1R,2S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-2-[[(1S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]-methyl-amino]-1-methyl-3-oxo-propyl] acetate
IUPAC Name: [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate
SYSTEMATIC NAME: [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-[methyl-[(2S)-3-methyl-1-[(2S,4S)-2-[[(2S)-2-methyl-5-oxidanylidene-2H-pyrrol-1-yl]carbonyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxid
MOLECULAR FORMULA: C39H65N5O9
MOLECULAR WEIGHT: 747.9615
SMILES: CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(=O)[C@H]([C@@H](C)OC(=O)C)N(C)[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)N2[C@H](C=CC2=O)C)O
Structure:
CAS RN: 140653-38-9
CAS Name: (4S)-4-[[(2R)-2-[[(2S,3R)-2-[[(2S)-4-amino-1,4-dioxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]butyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-5-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[2-[[(1R
OPENEYE Name: (4S)-4-[[(2R)-2-[[(2S,3R)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[[(1S,2S)-1-[[(1R)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S,2R)-1-[[2-[[(1R)-1-carbo
IUPAC Name: (4S)-4-[[(2R)-2-[[(2S,3R)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[2-[[(1R)-1-carboxy
SYSTEMATIC NAME: (4S)-4-[[(2R)-2-[[(2S,3R)-2-[[(2S)-4-azanyl-4-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(2S)-1
MOLECULAR FORMULA: C60H94N16O22S4
MOLECULAR WEIGHT: 1519.74236
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N
Structure:
CAS RN: 140395-23-9
CAS Name: (2S,3S)-7-[[[(5R)-5-amino-5-carboxypentyl]amino]-oxomethyl]-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid
OPENEYE Name: (2S,3S)-7-[[(5R)-5-amino-5-carboxy-pentyl]carbamoyl]-12-ethyl-3-(3-methoxy-3-oxo-propyl)-2,8,13,18-tetramethyl-17-vinyl-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid
IUPAC Name: (2S,3S)-7-[[(5R)-5-amino-5-carboxypentyl]carbamoyl]-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-7-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]carbamoyl]-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxidanylidene-propyl)-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid
MOLECULAR FORMULA: C40H48N6O7
MOLECULAR WEIGHT: 724.84512
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)OC)C(=O)O)C(=O)NCCCC[C@H](C(=O)O)N)C
Structure:
CAS RN: 139953-76-7
CAS Name: 3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-2H-triazino[5,4-b]indol-4-one
OPENEYE Name: 3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2H-triazino[5,4-b]indol-4-one
IUPAC Name: 3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2H-triazino[5,4-b]indol-4-one
SYSTEMATIC NAME: 3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-2H-[1,2,3]triazino[5,4-b]indol-4-one
MOLECULAR FORMULA: C16H11N5O2
MOLECULAR WEIGHT: 305.29084
SMILES: C1=CC=C2C(=C1)C3=NNN(C(=O)C3=N2)NC=C4C=CC(=O)C=C4
Structure:
CAS RN: 130603-71-3
CAS Name: 2-(3,4-dihydroxyphenyl)-3-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5,7-dihydroxy-c
IUPAC Name: 2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4-bis(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C33H40O21
MOLECULAR WEIGHT: 772.6581
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O
Structure:
CAS RN: 130114-83-9
CAS Name: hexadecanoic acid [3-[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-1,5-di
OPENEYE Name: [3-[(2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxo-pentanoy
IUPAC Name: [3-[(2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]oxy-2
SYSTEMATIC NAME: [3-[(2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]ami
MOLECULAR FORMULA: C65H116N6O21
MOLECULAR WEIGHT: 1317.64414
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 128233-25-0
CAS Name: [(Z)-[1-methyl-3-[(3-methyl-3-nitrobutoxy)methyl]-2-imidazolylidene]methyl]-oxoammonium chloride
OPENEYE Name: [(Z)-[1-methyl-3-[(3-methyl-3-nitro-butoxy)methyl]imidazol-2-ylidene]methyl]-oxo-ammonium chloride
IUPAC Name: [(Z)-[1-methyl-3-[(3-methyl-3-nitrobutoxy)methyl]imidazol-2-ylidene]methyl]-oxoazanium chloride
SYSTEMATIC NAME: [(Z)-[1-methyl-3-[(3-methyl-3-nitro-butoxy)methyl]imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride
MOLECULAR FORMULA: C11H19ClN4O4
MOLECULAR WEIGHT: 306.74596
SMILES: CC(C)(CCOCN\1C=CN(/C1=C/[NH+]=O)C)[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 128146-77-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H52N4O6
MOLECULAR WEIGHT: 708.88548
SMILES: CCCCCCOC(C)C1=C2C=C3C(=C(C(=CC4=NC5=C([C@H](C(=O)C5=C4C)C(=O)OC)C6=NC(=CC(=C1C)N2)[C@H]([C@@H]6CCC(=O)OC)C)N3)CC)C
Structure:
CAS RN: 127902-33-4
CAS Name: (3S)-4-[[(2R)-1-[2-[[[(2S)-2-[[[1H-indol-3-ylmethyl-[1-oxo-2-[[(2S)-1-oxo-2-[[1-oxo-3-(4-sulfooxyphenyl)propyl]amino]hexyl]amino]ethyl]amino]-oxomethyl]amino]-1-oxohexyl]amino]-oxomethyl]phenyl]propan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid
OPENEYE Name: (3S)-4-[[(1R)-2-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]-1-methyl-ethyl]amino]-3-(methylamino)-4-oxo-butanoic acid
IUPAC Name: (3S)-4-[[(2R)-1-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]propan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-4-[[(2R)-1-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]ethanoyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]propan-2-yl]amino]-3-(methylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C48H62N8O13S
MOLECULAR WEIGHT: 991.11668
SMILES: CCCC[C@@H](C(=O)NCC(=O)N(CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)NC(=O)C3=CC=CC=C3C[C@@H](C)NC(=O)[C@H](CC(=O)O)NC)NC(=O)CCC4=CC=C(C=C4)OS(=O)(=O)O
Structure:
CAS RN: 117176-50-8
CAS Name: (Z)-1-diazonio-3-[[3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-buten-2-olate
OPENEYE Name: (Z)-3-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-1-diazonio-but-1-en-2-olate
IUPAC Name: (Z)-1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-en-2-olate
SYSTEMATIC NAME: (Z)-1-diazonio-3-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-en-2-olate
MOLECULAR FORMULA: C21H22N4O5
MOLECULAR WEIGHT: 410.42318
SMILES: CC(/C(=C/[N+]#N)/[O-])NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 117141-32-9
CAS Name: (E)-2-diazonio-1-[[4-(2-pyridinyldisulfanyl)phenyl]methoxy]ethenolate
OPENEYE Name: (E)-2-diazonio-1-[[4-(2-pyridyldisulfanyl)phenyl]methoxy]ethenolate
IUPAC Name: (E)-2-diazonio-1-[[4-(pyridin-2-yldisulfanyl)phenyl]methoxy]ethenolate
SYSTEMATIC NAME: (E)-2-diazonio-1-[[4-(pyridin-2-yldisulfanyl)phenyl]methoxy]ethenolate
MOLECULAR FORMULA: C14H11N3O2S2
MOLECULAR WEIGHT: 317.38604
SMILES: C1=CC=NC(=C1)SSC2=CC=C(C=C2)CO/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 116819-28-4
CAS Name: (4S)-5-[[(1S)-1-carboxyethyl]amino]-4-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-5-[[(1S)-1-carboxyethyl]amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-5-[[(1S)-1-carboxyethyl]amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-oxidanylidene-5-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
MOLECULAR FORMULA: C23H27N9O6
MOLECULAR WEIGHT: 525.51718
SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 116064-73-4
CAS Name: 4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
OPENEYE Name: 4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
IUPAC Name: 4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
SYSTEMATIC NAME: 4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
MOLECULAR FORMULA: C30H28N4O4
MOLECULAR WEIGHT: 508.56772
SMILES: COC1=CC=CC2=C1NC3=C2C(=CN=C3C4CCCC5=C6C(=C7C=CC=C(C7=N6)OC)C(=CN45)OC)OC
Structure:
CAS RN: 115810-13-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C64H100O31
MOLECULAR WEIGHT: 1365.4602
SMILES: CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5O)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O
Structure:
CAS RN: 114849-41-1
CAS Name: 3-[(2S,3S)-18-[(2-aminoethylamino)-oxomethyl]-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
OPENEYE Name: 3-[(2S,3S)-18-(2-aminoethylcarbamoyl)-13-ethyl-20-(2-methoxy-2-oxo-ethyl)-3,7,12,17-tetramethyl-8-vinyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
IUPAC Name: 3-[(2S,3S)-18-(2-aminoethylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[(2S,3S)-18-(2-azanylethylcarbamoyl)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxidanylidene-ethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
MOLECULAR FORMULA: C37H44N6O5
MOLECULAR WEIGHT: 652.78246
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)OC)C(=O)NCCN)C
Structure:
CAS RN: 114394-28-4
CAS Name: 4-(dimethylamino)-N-[2-[[1-oxo-4-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-1,2,5-thiadiazol-3-yl]amino]ethyl]butanamide
OPENEYE Name: 4-(dimethylamino)-N-[2-[[1-oxo-4-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]-1,2,5-thiadiazol-3-yl]amino]ethyl]butanamide
IUPAC Name: 4-(dimethylamino)-N-[2-[[1-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,5-thiadiazol-3-yl]amino]ethyl]butanamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-[2-[[1-oxidanylidene-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,5-thiadiazol-3-yl]amino]ethyl]butanamide
MOLECULAR FORMULA: C25H41N7O3S
MOLECULAR WEIGHT: 519.70314
SMILES: CN(C)CCCC(=O)NCCNC1=NS(=O)N=C1NCCCOC2=CC=CC(=C2)CN3CCCCC3
Structure:
CAS RN: 113906-09-5
CAS Name: 4-methoxy-N'-[(Z)-2-pyrrolylidenemethyl]benzohydrazide
OPENEYE Name: 4-methoxy-N'-[(Z)-pyrrol-2-ylidenemethyl]benzohydrazide
IUPAC Name: 4-methoxy-N'-[(Z)-pyrrol-2-ylidenemethyl]benzohydrazide
SYSTEMATIC NAME: 4-methoxy-N'-[(Z)-pyrrol-2-ylidenemethyl]benzohydrazide
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: COC1=CC=C(C=C1)C(=O)NN/C=C\2/C=CC=N2
Structure:
CAS RN: 112246-80-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO
MOLECULAR WEIGHT: 295.4186
SMILES: C1CC(=O)C[C@@]23[C@@H]1[C@@H](CC4=CC=CC=C42)N(CC3)CC5CC5
Structure:
CAS RN: 112222-66-9
CAS Name: 2-(2,7-dihydroxy-4-oxo-1-benzopyran-3-yl)-2-(2-hydroxy-4-oxo-1-benzopyran-3-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2,7-dihydroxy-4-oxo-chromen-3-yl)-2-(2-hydroxy-4-oxo-chromen-3-yl)acetate
IUPAC Name: ethyl 2-(2,7-dihydroxy-4-oxochromen-3-yl)-2-(2-hydroxy-4-oxochromen-3-yl)acetate
SYSTEMATIC NAME: ethyl 2-[2,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]-2-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)ethanoate
MOLECULAR FORMULA: C22H16O9
MOLECULAR WEIGHT: 424.35704
SMILES: CCOC(=O)C(C1=C(OC2=CC=CC=C2C1=O)O)C3=C(OC4=C(C3=O)C=CC(=C4)O)O
Structure:
CAS RN: 111696-23-2
CAS Name: (6R,7R)-7-[[(2Z)-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 (2,2-dimethyl-1-oxopropoxy)methyl ester hydrochloride
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-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-carboxylate hydrochloride
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-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-carboxylate hydrochloride
MOLECULAR FORMULA: C20H26ClN5O7S2
MOLECULAR WEIGHT: 548.03274
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
Structure:
CAS RN: 105629-49-0
CAS Name: (6R,7R)-7-[[(2Z)-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 (2,2-dimethyl-1-oxopropoxy)methyl ester hydrochloride
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-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-carboxylate hydrochloride
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-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-carboxylate hydrochloride
MOLECULAR FORMULA: C20H26ClN5O7S2
MOLECULAR WEIGHT: 548.03274
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
Structure:
CAS RN: 111581-94-3
CAS Name: (4S,7S,12bR)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
OPENEYE Name: (4S,7S,12bR)-7-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
IUPAC Name: (4S,7S,12bR)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
SYSTEMATIC NAME: (4S,7S,12bR)-7-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-6-oxidanylidene-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
MOLECULAR FORMULA: C27H32N2O5
MOLECULAR WEIGHT: 464.55338
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CC3=CC=CC=C3[C@H]4CCC[C@H](N4C2=O)C(=O)O
Structure:
CAS RN: 111581-85-2
CAS Name: (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
OPENEYE Name: (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenyl-propyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
IUPAC Name: (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
SYSTEMATIC NAME: (4S,7S,12bR)-6-oxidanylidene-7-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
MOLECULAR FORMULA: C25H28N2O5
MOLECULAR WEIGHT: 436.50022
SMILES: C1C[C@@H]2C3=CC=CC=C3C[C@@H](C(=O)N2[C@@H](C1)C(=O)O)N[C@@H](CCC4=CC=CC=C4)C(=O)O
Structure:
CAS RN: 110189-11-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H27NO6
MOLECULAR WEIGHT: 461.50638
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)OC(=O)C7=CC=CC=C7O)O5)O
Structure:
CAS RN: 110037-64-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4C
Structure:
CAS RN: 109517-68-2
CAS Name: 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h][1]benzopyran-4-one
OPENEYE Name: 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-8,8-dimethyl-5-oxidanyl-9,10-dihydropyrano[2,3-h]chromen-4-one
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC1(CCC2=C3C(=C(C=C2O1)O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C
Structure:
CAS RN: 109351-36-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO5
MOLECULAR WEIGHT: 333.37892
SMILES: COC1=C(C2=C(C[C@H]3C4=C([C@H]([C@H](C[C@]42CCN3)O)O)OC)C=C1)O
Structure:
CAS RN: 109278-36-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H14O7
MOLECULAR WEIGHT: 342.29956
SMILES: COC1=C2C(=C3C4CC(OC4OC3=C1)O)OC5=C(C2=O)C(=CC=C5)O
Structure:
CAS RN: 107048-32-8
CAS Name: 6-amino-N-[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-o
OPENEYE Name: 6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-N-
IUPAC Name: 6-amino-N-[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoy
SYSTEMATIC NAME: 6-azanyl-N-[(2S)-6-azanyl-1-[[(2S,3S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-
MOLECULAR FORMULA: C60H114N16O12
MOLECULAR WEIGHT: 1251.64716
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)C(CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N
Structure:
CAS RN: 106544-47-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H37NO14
MOLECULAR WEIGHT: 695.66658
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@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)NC(=O)C)OC)O
Structure:
CAS RN: 105608-31-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H32O9
MOLECULAR WEIGHT: 488.52688
SMILES: C[C@@]12[C@H](CC[C@@]1([C@@H]3CC[C@]45C[C@@H]6C[C@H]([C@@]4([C@H]3C(C2=O)O)CO)O[C@@](O6)(O5)C)O)C7=COC(=O)C=C7
Structure:
CAS RN: 104472-68-6
CAS Name: 3-[[(3R,4S,5S,6R)-4,5-dihydroxy-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chrome
IUPAC Name: 3-[(3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(3-methoxy-4-oxidanyl-phenyl)-3-[(3R,4S,5S,6R)-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C34H42O20
MOLECULAR WEIGHT: 770.68528
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O
Structure:
CAS RN: 101489-26-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12O6
MOLECULAR WEIGHT: 312.27358
SMILES: C1CO[C@H]2[C@@H]1C3=C(O2)C=C4C(=C3O)C(=O)C5=C(O4)C=CC=C5O
Structure:
CAS RN: 99291-20-0
CAS Name: (4S)-4-[[(2S)-2-[[[1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[(2S)-2-[[[(1S)-1-carboxy-3-(methylthio)propyl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]am
OPENEYE Name: (4S)-4-[[(2S)-2-[[1-[(2S)-2-amino-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-(carboxymethyl)-2-[(2S)-2-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-2-
IUPAC Name: (4S)-4-[[(2S)-2-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[(2S)-2-[[(1S)-1-carboxy-3-methylsulfanylpropyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-o
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-5-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-1-[(2S)-2-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanyl-
MOLECULAR FORMULA: C42H69N9O14S
MOLECULAR WEIGHT: 956.11416
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C2CCCN2C(=O)[C@H](C(C)C)N
Structure:
CAS RN: 97557-30-7
CAS Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxob
OPENEYE Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amin
IUPAC Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]p
SYSTEMATIC NAME: (2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carb
MOLECULAR FORMULA: C48H74N18O19
MOLECULAR WEIGHT: 1207.21036
SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CC(=O)N)N
Structure:
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