CAS RN: 96576-24-8
CAS Name: 2-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
IUPAC Name: 2-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CCOC1(COC2=CC=CC=C2O1)C3=NCCN3
Structure:
CAS RN: 3141-12-6
CAS Name: (1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-2-ene
OPENEYE Name: (1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-2-ene
IUPAC Name: (1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-2-ene
SYSTEMATIC NAME: (1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-2-ene
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CC[C@@H]1[C@H]2C=CC[C@](O2)(O1)C
Structure:
CAS RN: 65673-63-4
CAS Name: 6,7-dibromooctadecanoic acid
OPENEYE Name: 6,7-dibromooctadecanoic acid
IUPAC Name: 6,7-dibromooctadecanoic acid
SYSTEMATIC NAME: 6,7-bis(bromanyl)octadecanoic acid
MOLECULAR FORMULA: C18H34Br2O2
MOLECULAR WEIGHT: 442.26936
SMILES: CCCCCCCCCCCC(C(CCCCC(=O)O)Br)Br
Structure:
CAS RN: 2633-01-4
CAS Name: 2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
OPENEYE Name: 2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
IUPAC Name: 2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
SYSTEMATIC NAME: 2-(2-hydroxyethyloxymethyl)-1,2,4-triazole-3-carboxamide
MOLECULAR FORMULA: C6H10N4O3
MOLECULAR WEIGHT: 186.1686
SMILES: C1=NN(C(=N1)C(=O)N)COCCO
Structure:
CAS RN: 96404-52-3
CAS Name: 2-(3-fluoranthenylmethylamino)-2-methylpropane-1,3-diol
OPENEYE Name: 2-(fluoranthen-3-ylmethylamino)-2-methyl-propane-1,3-diol
IUPAC Name: 2-(fluoranthen-3-ylmethylamino)-2-methylpropane-1,3-diol
SYSTEMATIC NAME: 2-(fluoranthen-3-ylmethylamino)-2-methyl-propane-1,3-diol
MOLECULAR FORMULA: C21H21NO2
MOLECULAR WEIGHT: 319.39694
SMILES: CC(CO)(CO)NCC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43
Structure:
CAS RN: 96399-51-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H48O24
MOLECULAR WEIGHT: 864.75192
SMILES: CC(=O)O[C@@H]1[C@H]2CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC4[C@@H]([C@H]([C@@H](C(O4)CO[C@H](O2)[C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 2488-01-9
CAS Name: (2S,5S,12R)-12-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3,7,13-trioxo-2-(phenylmethyl)-1,4,8-triazacyclotridecane-5-carboxamide
OPENEYE Name: (2S,5S,12R)-12-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-benzyl-3,7,13-trioxo-1,4,8-triazacyclotridecane-5-carboxamide
IUPAC Name: (2S,5S,12R)-12-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-benzyl-3,7,13-trioxo-1,4,8-triazacyclotridecane-5-carboxamide
SYSTEMATIC NAME: (2S,5S,12R)-12-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3,7,13-tris(oxidanylidene)-2-(phenylmethyl)-1,4,8-triazacyclotridecane-5-carboxamide
MOLECULAR FORMULA: C27H34N6O6
MOLECULAR WEIGHT: 538.59546
SMILES: C1C[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)NC1)C(=O)N)CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 2474-07-9
CAS Name: (4S,8R)-4,8-bis(1-aziridinyl)-N2,N2',N4,N6,N6',N8-hexamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine
OPENEYE Name: (4S,8R)-4,8-bis(aziridin-1-yl)-N2,N2',N4,N6,N6',N8-hexamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine
IUPAC Name: (4S,8R)-4,8-bis(aziridin-1-yl)-2-N,2-N',4-N,6-N,6-N',8-N-hexamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine
SYSTEMATIC NAME: (4S,8R)-4,8-bis(aziridin-1-yl)-N2,N2',N4,N6,N6',N8-hexamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine
MOLECULAR FORMULA: C10H32N12P4
MOLECULAR WEIGHT: 444.336524
SMILES: CN[P@]1(=NP(=N[P@@](=NP(=N1)(NC)NC)(NC)N2CC2)(NC)NC)N3CC3
Structure:
CAS RN: 96357-58-3
CAS Name: (4S,8R)-4,8-bis(1-aziridinyl)-N2,N2',N4,N6,N6',N8-hexamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine
OPENEYE Name: (4S,8R)-4,8-bis(aziridin-1-yl)-N2,N2',N4,N6,N6',N8-hexamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine
IUPAC Name: (4S,8R)-4,8-bis(aziridin-1-yl)-2-N,2-N',4-N,6-N,6-N',8-N-hexamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine
SYSTEMATIC NAME: (4S,8R)-4,8-bis(aziridin-1-yl)-N2,N2',N4,N6,N6',N8-hexamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine
MOLECULAR FORMULA: C10H32N12P4
MOLECULAR WEIGHT: 444.336524
SMILES: CN[P@]1(=NP(=N[P@@](=NP(=N1)(NC)NC)(NC)N2CC2)(NC)NC)N3CC3
Structure:
CAS RN: 2338-04-7
CAS Name: 12-(2,4,6-trinitroanilino)dodecanoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-(2,4,6-trinitroanilino)dodecanoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-(2,4,6-trinitroanilino)dodecanoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-[(2,4,6-trinitrophenyl)amino]dodecanoate
MOLECULAR FORMULA: C45H70N4O8
MOLECULAR WEIGHT: 795.0593
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCCCCCCCNC5=C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)C
Structure:
CAS RN: 134152-15-1
CAS Name: 2-[carboxymethyl(3-sulfopropyl)amino]acetic acid
OPENEYE Name: 2-[carboxymethyl(3-sulfopropyl)amino]acetic acid
IUPAC Name: 2-[carboxymethyl(3-sulfopropyl)amino]acetic acid
SYSTEMATIC NAME: 2-[2-hydroxy-2-oxoethyl(3-sulfopropyl)amino]ethanoic acid
MOLECULAR FORMULA: C7H13NO7S
MOLECULAR WEIGHT: 255.24562
SMILES: C(CN(CC(=O)O)CC(=O)O)CS(=O)(=O)O
Structure:
CAS RN: 134152-11-7
CAS Name: (6S,8aS)-2-hydroxy-4-methoxy-6,8a-dimethyl-6,7-dihydropyrano[2,3-b]pyran-5-one
OPENEYE Name: (6S,8aS)-2-hydroxy-4-methoxy-6,8a-dimethyl-6,7-dihydropyrano[2,3-b]pyran-5-one
IUPAC Name: (6S,8aS)-2-hydroxy-4-methoxy-6,8a-dimethyl-6,7-dihydropyrano[2,3-b]pyran-5-one
SYSTEMATIC NAME: (6S,8aS)-4-methoxy-6,8a-dimethyl-2-oxidanyl-6,7-dihydropyrano[2,3-b]pyran-5-one
MOLECULAR FORMULA: C11H14O5
MOLECULAR WEIGHT: 226.22586
SMILES: C[C@H]1CO[C@@]2(C(=C(C=C(O2)O)OC)C1=O)C
Structure:
CAS RN: 134121-41-8
CAS Name: (4-hydroxy-8-methyl-2-oxo-3,4-dihydropyrido[4,3-e][1,3]oxazin-5-yl)methyl dihydrogen phosphate
OPENEYE Name: (4-hydroxy-8-methyl-2-oxo-3,4-dihydropyrido[4,3-e][1,3]oxazin-5-yl)methyl dihydrogen phosphate
IUPAC Name: (4-hydroxy-8-methyl-2-oxo-3,4-dihydropyrido[4,3-e][1,3]oxazin-5-yl)methyl dihydrogen phosphate
SYSTEMATIC NAME: (8-methyl-4-oxidanyl-2-oxidanylidene-3,4-dihydropyrido[4,3-e][1,3]oxazin-5-yl)methyl dihydrogen phosphate
MOLECULAR FORMULA: C9H11N2O7P
MOLECULAR WEIGHT: 290.166601
SMILES: CC1=NC=C(C2=C1OC(=O)NC2O)COP(=O)(O)O
Structure:
CAS RN: 134121-19-0
CAS Name: 2-[[3-acetyloxy-4,5-bis(2-methoxy-2-oxoethoxy)-2-oxanyl]methoxy]acetic acid methyl ester
OPENEYE Name: methyl 2-[[3-acetoxy-4,5-bis(2-methoxy-2-oxo-ethoxy)tetrahydropyran-2-yl]methoxy]acetate
IUPAC Name: methyl 2-[[3-acetyloxy-4,5-bis(2-methoxy-2-oxoethoxy)oxan-2-yl]methoxy]acetate
SYSTEMATIC NAME: methyl 2-[[3-acetyloxy-4,5-bis(2-methoxy-2-oxidanylidene-ethoxy)oxan-2-yl]methoxy]ethanoate
MOLECULAR FORMULA: C17H26O12
MOLECULAR WEIGHT: 422.38114
SMILES: CC(=O)OC1C(OCC(C1OCC(=O)OC)OCC(=O)OC)COCC(=O)OC
Structure:
CAS RN: 134121-16-7
CAS Name: 2-[[5-acetyloxy-6-(methoxymethyl)-4-(2-methoxy-2-oxoethoxy)-3-oxanyl]oxy]acetic acid methyl ester
OPENEYE Name: methyl 2-[5-acetoxy-6-(methoxymethyl)-4-(2-methoxy-2-oxo-ethoxy)tetrahydropyran-3-yl]oxyacetate
IUPAC Name: methyl 2-[5-acetyloxy-6-(methoxymethyl)-4-(2-methoxy-2-oxoethoxy)oxan-3-yl]oxyacetate
SYSTEMATIC NAME: methyl 2-[5-acetyloxy-6-(methoxymethyl)-4-(2-methoxy-2-oxidanylidene-ethoxy)oxan-3-yl]oxyethanoate
MOLECULAR FORMULA: C15H24O10
MOLECULAR WEIGHT: 364.34506
SMILES: CC(=O)OC1C(OCC(C1OCC(=O)OC)OCC(=O)OC)COC
Structure:
CAS RN: 134121-14-5
CAS Name: 2-[(3-acetyloxy-4,5-dimethoxy-2-oxanyl)methoxy]acetic acid methyl ester
OPENEYE Name: methyl 2-[(3-acetoxy-4,5-dimethoxy-tetrahydropyran-2-yl)methoxy]acetate
IUPAC Name: methyl 2-[(3-acetyloxy-4,5-dimethoxyoxan-2-yl)methoxy]acetate
SYSTEMATIC NAME: methyl 2-[(3-acetyloxy-4,5-dimethoxy-oxan-2-yl)methoxy]ethanoate
MOLECULAR FORMULA: C13H22O8
MOLECULAR WEIGHT: 306.30898
SMILES: CC(=O)OC1C(OCC(C1OC)OC)COCC(=O)OC
Structure:
CAS RN: 134111-32-3
CAS Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-thiolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-thiolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O4S
MOLECULAR WEIGHT: 244.26758
SMILES: C1[C@@H]([C@H](SC1N2C=CC(=O)NC2=O)CO)O
Structure:
CAS RN: 134111-30-1
CAS Name: 4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-thiolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-thiolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H13N3O3S
MOLECULAR WEIGHT: 243.28282
SMILES: C1[C@@H]([C@H](SC1N2C=CC(=NC2=O)N)CO)O
Structure:
CAS RN: 134107-56-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H14O6
MOLECULAR WEIGHT: 242.22526
SMILES: CC12C3C(C(C1O2)O)C(=COC3O)C(=O)OC
Structure:
CAS RN: 133986-32-0
CAS Name: 5-(4-aminophenyl)-3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
OPENEYE Name: 5-(4-aminophenyl)-3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
IUPAC Name: 5-(4-aminophenyl)-3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SYSTEMATIC NAME: 5-(4-aminophenyl)-3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: C1CCC(CC1)CN2C(=O)C3CC3(C2=O)C4=CC=C(C=C4)N
Structure:
CAS RN: 133983-29-6
CAS Name: 4-amino-5-phosphonoheptanoic acid
OPENEYE Name: 4-amino-5-phosphono-heptanoic acid
IUPAC Name: 4-amino-5-phosphonoheptanoic acid
SYSTEMATIC NAME: 4-azanyl-5-phosphono-heptanoic acid
MOLECULAR FORMULA: C7H16NO5P
MOLECULAR WEIGHT: 225.179401
SMILES: CCC(C(CCC(=O)O)N)P(=O)(O)O
Structure:
CAS RN: 133933-81-0
CAS Name: 4-amino-3-(5-chloro-2-thiophenyl)butanoic acid
OPENEYE Name: 4-amino-3-(5-chloro-2-thienyl)butanoic acid
IUPAC Name: 4-amino-3-(5-chlorothiophen-2-yl)butanoic acid
SYSTEMATIC NAME: 4-azanyl-3-(5-chloranylthiophen-2-yl)butanoic acid
MOLECULAR FORMULA: C8H10ClNO2S
MOLECULAR WEIGHT: 219.6885
SMILES: C1=C(SC(=C1)Cl)C(CC(=O)O)CN
Structure:
CAS RN: 133933-77-4
CAS Name: 4-amino-3-(5-methyl-2-thiophenyl)butanoic acid
OPENEYE Name: 4-amino-3-(5-methyl-2-thienyl)butanoic acid
IUPAC Name: 4-amino-3-(5-methylthiophen-2-yl)butanoic acid
SYSTEMATIC NAME: 4-azanyl-3-(5-methylthiophen-2-yl)butanoic acid
MOLECULAR FORMULA: C9H13NO2S
MOLECULAR WEIGHT: 199.27002
SMILES: CC1=CC=C(S1)C(CC(=O)O)CN
Structure:
CAS RN: 2224-10-4
CAS Name: (8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
OPENEYE Name: (8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
IUPAC Name: (8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SYSTEMATIC NAME: (8R)-3-[(2R,3R,4R,5R)-3-chloranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
MOLECULAR FORMULA: C11H15ClN4O4
MOLECULAR WEIGHT: 302.7142
SMILES: C1[C@H](C2=C(NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)Cl)O
Structure:
CAS RN: 96328-17-5
CAS Name: (8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
OPENEYE Name: (8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
IUPAC Name: (8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SYSTEMATIC NAME: (8R)-3-[(2R,3R,4R,5R)-3-chloranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
MOLECULAR FORMULA: C11H15ClN4O4
MOLECULAR WEIGHT: 302.7142
SMILES: C1[C@H](C2=C(NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)Cl)O
Structure:
CAS RN: 150399-23-8
CAS Name: disodium (2R)-2-[[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioate
OPENEYE Name: disodium (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
IUPAC Name: disodium (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: disodium (2R)-2-[[4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C20H19N5Na2O6
MOLECULAR WEIGHT: 471.3743
SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
Structure:
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