CAS RN: 152551-55-8
CAS Name: N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[oxo-[(2S)-1-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]-2-pyrrolidinyl]methyl]amino]propan-2-yl]amino]propan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-2-[[(1S)-2-[[(2S)-1-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxo-propyl]pyrrolidine-2-carbonyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-[(2S)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-butan-2-yl]pyrrolidin-2-yl]carbonylamino]propan-2-yl]amino]propan-2-yl]carbamate
MOLECULAR FORMULA: C29H33F3N4O6
MOLECULAR WEIGHT: 590.59073
SMILES: C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1[C@@H](CC2=CC=CC=C2)C(=O)C(F)(F)F)NC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 152203-30-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C135H290O139
MOLECULAR WEIGHT: 4137.6637
SMILES: C[C@H](COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](
Structure:
CAS RN: 150942-61-3
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-ox
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydr
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amin
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pe
MOLECULAR FORMULA: C64H111N21O18
MOLECULAR WEIGHT: 1462.69604
SMILES: C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N
Structure:
CAS RN: 150351-90-9
CAS Name: N-[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-2-[methyl(3-methylbutyl)amino]-1-oxopropyl]amino]-1-oxopropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
OPENEYE Name: N-[(1S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[isopentyl(methyl)amino]propanoyl]amino]-1-methyl-2-oxo-ethyl]-2-phenyl-1H-imidazole-5-carboxamide
IUPAC Name: N-[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-2-[methyl(3-methylbutyl)amino]propanoyl]amino]-1-oxopropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-2-[methyl(3-methylbutyl)amino]propanoyl]amino]-1-oxidanylidene-propan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
MOLECULAR FORMULA: C30H36N6O3
MOLECULAR WEIGHT: 528.64524
SMILES: C[C@@H](C(=O)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)N(C)CCC(C)C)NC(=O)C3=CN=C(N3)C4=CC=CC=C4
Structure:
CAS RN: 149097-04-1
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]am
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoyl]amino]-5-gu
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diam
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoyl]amino]-5-[
MOLECULAR FORMULA: C44H66N14O10S
MOLECULAR WEIGHT: 983.14764
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N
Structure:
CAS RN: 148372-95-6
CAS Name: (3E)-3-[1-(ethylamino)ethylidene]-6-methylpyran-2,4-dione
OPENEYE Name: (3E)-3-[1-(ethylamino)ethylidene]-6-methyl-pyran-2,4-dione
IUPAC Name: (3E)-3-[1-(ethylamino)ethylidene]-6-methylpyran-2,4-dione
SYSTEMATIC NAME: (3E)-3-[1-(ethylamino)ethylidene]-6-methyl-pyran-2,4-dione
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: CCN/C(=C/1\C(=O)C=C(OC1=O)C)/C
Structure:
CAS RN: 148084-40-6
CAS Name: (2Z,4aS,12aR)-2-[amino(hydroxy)methylidene]-4a,10,11,12a-tetrahydroxy-8-methoxy-4,5-dihydrotetracene-1,3,12-trione
OPENEYE Name: (2Z,4aS,12aR)-2-[amino(hydroxy)methylene]-4a,10,11,12a-tetrahydroxy-8-methoxy-4,5-dihydrotetracene-1,3,12-trione
IUPAC Name: (2Z,4aS,12aR)-2-[amino(hydroxy)methylidene]-4a,10,11,12a-tetrahydroxy-8-methoxy-4,5-dihydrotetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4aS,12aR)-2-[azanyl(oxidanyl)methylidene]-8-methoxy-4a,10,11,12a-tetrakis(oxidanyl)-4,5-dihydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C20H17NO9
MOLECULAR WEIGHT: 415.35028
SMILES: COC1=CC2=CC3=C(C(=C2C(=C1)O)O)C(=O)[C@]4(C(=O)/C(=C(/N)\O)/C(=O)C[C@]4(C3)O)O
Structure:
CAS RN: 147293-39-8
CAS Name: 5-methyl-6-pyridin-4-yl-3H-thiazolo[4,5-b]pyridin-2-one
OPENEYE Name: 5-methyl-6-(4-pyridyl)-3H-thiazolo[4,5-b]pyridin-2-one
IUPAC Name: 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SYSTEMATIC NAME: 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
MOLECULAR FORMULA: C12H9N3OS
MOLECULAR WEIGHT: 243.28436
SMILES: CC1=NC2=C(C=C1C3=CC=NC=C3)SC(=O)N2
Structure:
CAS RN: 144678-18-2
CAS Name: 8-hydroxy-6-(hydroxymethyl)-9-oxo-1aH-oxireno[2,3-a]xanthene-9b-carboxylic acid methyl ester
OPENEYE Name: methyl 8-hydroxy-6-(hydroxymethyl)-9-oxo-1aH-oxireno[2,3-a]xanthene-9b-carboxylate
IUPAC Name: methyl 8-hydroxy-6-(hydroxymethyl)-9-oxo-1aH-oxireno[2,3-a]xanthene-9b-carboxylate
SYSTEMATIC NAME: methyl 6-(hydroxymethyl)-8-oxidanyl-9-oxidanylidene-1aH-oxireno[2,3-a]xanthene-9b-carboxylate
MOLECULAR FORMULA: C16H12O7
MOLECULAR WEIGHT: 316.26228
SMILES: COC(=O)C12C(O1)C=CC3=C2C(=O)C4=C(O3)C=C(C=C4O)CO
Structure:
CAS RN: 144219-07-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H13N3O7
MOLECULAR WEIGHT: 383.31172
SMILES: COC(=O)C1=CC(=NC2=C1C3=C(C=C(N3)C(=O)OC)C4=C2N=CO4)C(=O)OC
Structure:
CAS RN: 97590-10-8
CAS Name: [1-[(2S)-2-[[[(2S)-2-[[(2S)-2-[(4-methoxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-phenylethyl]boronic acid
OPENEYE Name: [1-[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxo-butanoyl)amino]propanoyl]amino]propanoyl]carbamoyl]pyrrolidin-1-yl]-2-phenyl-ethyl]boronic acid
IUPAC Name: [1-[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]carbamoyl]pyrrolidin-1-yl]-2-phenylethyl]boronic acid
SYSTEMATIC NAME: [1-[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]propanoyl]amino]propanoyl]carbamoyl]pyrrolidin-1-yl]-2-phenyl-ethyl]boronic acid
MOLECULAR FORMULA: C24H35BN4O8
MOLECULAR WEIGHT: 518.3677
SMILES: B(C(CC1=CC=CC=C1)N2CCC[C@H]2C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC)(O)O
Structure:
CAS RN: 88495-09-4
CAS Name: (2R,3S)-2-amino-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
OPENEYE Name: (2R,3S)-2-amino-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
IUPAC Name: (2R,3S)-2-amino-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
SYSTEMATIC NAME: (2R,3S)-2-azanyl-3-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
MOLECULAR FORMULA: C10H16N4O4
MOLECULAR WEIGHT: 256.25844
SMILES: C[C@@H]([C@H](C(=O)O)N)N[C@@H](CC1=CN=CN1)C(=O)O
Structure:
CAS RN: 78371-68-3
CAS Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine; dihydrochloride
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; N-tetralin-5-yl-4,5-dihydro-1H-imidazol-2-amine; dihydrochloride
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine; dihydrochloride
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine; dihydrochloride
MOLECULAR FORMULA: C35H43Cl2N5O9
MOLECULAR WEIGHT: 748.65002
SMILES: C[C@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.C1CCC2=C(C1)C=CC=C2NC3=NCCN3.Cl.Cl
Structure:
CAS RN: 78371-67-2
CAS Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-oct
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydroc
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydr
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-6,7,8,9,12,14,15
MOLECULAR FORMULA: C43H51ClN2O14
MOLECULAR WEIGHT: 855.32304
SMILES: C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C.C[C@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.Cl
Structure:
CAS RN: 78168-91-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H61ClN7O12P
MOLECULAR WEIGHT: 1018.485801
SMILES: CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O
Structure:
CAS RN: 77416-71-8
CAS Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; acetic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahyd
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decah
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,
MOLECULAR FORMULA: C45H56N2O15
MOLECULAR WEIGHT: 864.93054
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O.C[C@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O
Structure:
CAS RN: 76157-58-9
CAS Name: (2S)-2-[[2-(ethylamino)-2-oxoethyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[2-(ethylamino)-2-oxo-ethyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[2-(ethylamino)-2-oxoethyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]propanoic acid
MOLECULAR FORMULA: C7H14N2O3
MOLECULAR WEIGHT: 174.19766
SMILES: CCNC(=O)CN[C@@H](C)C(=O)O
Structure:
CAS RN: 76095-55-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H60Cl2N4O10PS-3
MOLECULAR WEIGHT: 962.934161
SMILES: CCNC(C)C(C1=CC(=C(C=C1)O)O)O.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.[O-]P(=O)([O-])[O-].Cl.Cl
Structure:
CAS RN: 72209-16-6
CAS Name: 4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-6,7-dihydroxy-9-oxo-4,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid
OPENEYE Name: 4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6,7-dihydroxy-9-oxo-4,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid
IUPAC Name: 4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-4,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid
SYSTEMATIC NAME: 4-[3-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-bis(oxidanyl)-9-oxidanylidene-4,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid
MOLECULAR FORMULA: C19H20N5O12P
MOLECULAR WEIGHT: 541.362161
SMILES: C1=CC(=CC=C1C(=O)O)C2(C(N=C3N2C(=O)C4=C(N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O)O
Structure:
CAS RN: 71448-11-8
CAS Name: (2S)-2-[[(2S)-2-benzamido-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C16H23N5O4
MOLECULAR WEIGHT: 349.38492
SMILES: C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C1=CC=CC=C1
Structure:
CAS RN: 66997-72-6
CAS Name: 4-hydroxy-9-oxo-5H-phenazine-1,6-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4-hydroxy-9-oxo-5H-phenazine-1,6-dicarboxylate
IUPAC Name: dimethyl 4-hydroxy-9-oxo-5H-phenazine-1,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-oxidanyl-9-oxidanylidene-5H-phenazine-1,6-dicarboxylate
MOLECULAR FORMULA: C16H12N2O6
MOLECULAR WEIGHT: 328.27628
SMILES: COC(=O)C1=C2C(=NC3=C(C=CC(=C3N2)O)C(=O)OC)C(=O)C=C1
Structure:
CAS RN: 64821-31-4
CAS Name: (2S)-2-amino-4-[[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]thio]butanoic acid
OPENEYE Name: (2S)-2-amino-4-[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl]sulfanyl-butanoic acid
IUPAC Name: (2S)-2-amino-4-[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]sulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-4-[(2S)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl]sulfanyl-2-azanyl-butanoic acid
MOLECULAR FORMULA: C14H18N6O5S
MOLECULAR WEIGHT: 382.39492
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@@H](C=O)O[C@H](CSCC[C@@H](C(=O)O)N)C=O
Structure:
CAS RN: 63439-38-3
CAS Name: (E)-3-[[(1R)-1-carboxy-2-mercaptoethyl]amino]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate
OPENEYE Name: (E)-3-[[(1R)-1-carboxy-2-sulfanyl-ethyl]amino]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate
IUPAC Name: (E)-3-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate
SYSTEMATIC NAME: (E)-2-diazonio-1-ethoxy-3-oxidanylidene-3-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]prop-1-en-1-olate
MOLECULAR FORMULA: C8H11N3O5S
MOLECULAR WEIGHT: 261.25504
SMILES: CCO/C(=C(\C(=O)N[C@@H](CS)C(=O)O)/[N+]#N)/[O-]
Structure:
CAS RN: 62570-11-0
CAS Name: (2S)-2-amino-3-[[[(1-amino-1-carboxy-2-methylpropan-2-yl)thio]-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsino]thio]-3-methylbutanoic acid; 4-[5-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]-1-cyclohexa-2,5-d
OPENEYE Name: (2S)-2-amino-3-[(2-amino-2-carboxy-1,1-dimethyl-ethyl)sulfanyl-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsanyl]sulfanyl-3-methyl-butanoic acid; 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5
IUPAC Name: (2S)-2-amino-3-[(1-amino-1-carboxy-2-methylpropan-2-yl)sulfanyl-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsanyl]sulfanyl-3-methylbutanoic acid; 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5
SYSTEMATIC NAME: (2S)-2-azanyl-3-[(3-azanyl-2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanyl-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]arsanyl]sulfanyl-3-methyl-butanoic acid; 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol
MOLECULAR FORMULA: C44H56AsCl3N14O5S2
MOLECULAR WEIGHT: 1106.41684
SMILES: CC(C)([C@H](C(=O)O)N)S[As](C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)N)SC(C)(C)C(C(=O)O)N.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5.Cl.Cl.Cl
Structure:
CAS RN: 61715-45-5
CAS Name: (Z)-2-diazonio-1-[[(2S)-1-oxo-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]amino]ethenolate
OPENEYE Name: (Z)-1-[[(1S)-1-benzyl-2-oxo-2-(3-phenylpropylamino)ethyl]amino]-2-diazonio-ethenolate
IUPAC Name: (Z)-2-diazonio-1-[[(2S)-1-oxo-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]amino]ethenolate
SYSTEMATIC NAME: (Z)-2-diazonio-1-[[(2S)-1-oxidanylidene-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]amino]ethenolate
MOLECULAR FORMULA: C20H22N4O2
MOLECULAR WEIGHT: 350.41428
SMILES: C1=CC=C(C=C1)CCCNC(=O)[C@H](CC2=CC=CC=C2)N/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 61442-57-7
CAS Name: disodium [(2R,3R,5R)-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-oxidophosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]methyl hydrogen phosphate tridecahydrate
OPENEYE Name: disodium [(2R,3R,5R)-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]methyl hydrogen phosphate tridecahydrate
IUPAC Name: disodium [(2R,3R,5R)-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl hydrogen phosphate tridecahydrate
SYSTEMATIC NAME: disodium [(2R,3R,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxolan-3-yl]methyl hydrogen phosphate tridecahydrate
MOLECULAR FORMULA: C20H52N4Na2O28P2
MOLECULAR WEIGHT: 904.563942
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)OP(=O)([O-])OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)COP(=O)(O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
Structure:
CAS RN: 59113-57-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H24ClNO11
MOLECULAR WEIGHT: 597.95396
SMILES: CN1[C@@H]([C@@H](C2=C(C1=O)C(=C3C(=C2)[C@@H]([C@H]4C5=C(C6=C(C(=C53)O)C(=O)C7=C(O6)C(=C(C=C7)Cl)OC)OCO4)OC)O)O)OC
Structure:
CAS RN: 58921-39-4
CAS Name: oxo-[[1-[5-[4-(oxoammoniomethylidene)-1-pyridinyl]-2,5-dihydrofuran-2-yl]-4-pyridinylidene]methyl]ammonium dibromide
OPENEYE Name: oxo-[[1-[5-[4-(oxoammoniomethylene)-1-pyridyl]-2,5-dihydrofuran-2-yl]-4-pyridylidene]methyl]ammonium dibromide
IUPAC Name: oxo-[[1-[5-[4-(oxoazaniumylmethylidene)pyridin-1-yl]-2,5-dihydrofuran-2-yl]pyridin-4-ylidene]methyl]azanium dibromide
SYSTEMATIC NAME: oxidanylidene-[[1-[5-[4-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]-2,5-dihydrofuran-2-yl]pyridin-4-ylidene]methyl]azanium dibromide
MOLECULAR FORMULA: C16H16Br2N4O3
MOLECULAR WEIGHT: 472.13124
SMILES: C1=CC(OC1N2C=CC(=C[NH+]=O)C=C2)N3C=CC(=C[NH+]=O)C=C3.[Br-].[Br-]
Structure:
CAS RN: 58769-29-2
CAS Name: 7-[[(3R,4S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]-2-oxolanyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7-[(3R,4S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]tetrahydrofuran-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 7-[(3R,4S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-[(3R,4S)-3,4-bis(oxidanyl)-5-[(1S)-1-oxidanylethyl]oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-3,5-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O10
MOLECULAR WEIGHT: 432.3775
SMILES: C[C@@H](C1[C@H]([C@H](C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O
Structure:
CAS RN: 58630-48-1
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-(carbamoylamino)-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-guanidino-2-(hydantoylamino)pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propa
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-(carbamoylamino)acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyr
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-(aminocarbonylamino)ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)pro
MOLECULAR FORMULA: C42H64N14O11
MOLECULAR WEIGHT: 941.04476
SMILES: C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)N
Structure:
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