CAS RN: 60028-07-1
CAS Name: 4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: CCCC12COC(OC1)OC2
Structure:
CAS RN: 60027-99-8
CAS Name: 4-butyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide
OPENEYE Name: 4-butyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide
IUPAC Name: 4-butyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide
SYSTEMATIC NAME: 4-butyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide
MOLECULAR FORMULA: C8H15O4P
MOLECULAR WEIGHT: 206.176061
SMILES: CCCCC12COP(=O)(OC1)OC2
Structure:
CAS RN: 59969-42-5
CAS Name: (2R)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-12-oxo-17-(6-oxo-3-pyranyl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-1,8-dioxooctyl]amino]pentanoic acid
OPENEYE Name: (2R)-2-[[8-[[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-12-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxo-octanoyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-12-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-2-[[8-[[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-10,13-dimethyl-11,14-bis(oxidanyl)-12-oxidanylidene-17-(6-oxidanylidenepyran-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxidanylidene
MOLECULAR FORMULA: C38H56N4O10
MOLECULAR WEIGHT: 728.87204
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)OC(=O)CCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 59926-78-2
CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-1-oxo-3-sulfanylidenepropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopent-4-enyl]amino]-4-methylpentanethioic S-acid
OPENEYE Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-thioxo-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pent-4-enoyl]amino]-4-methyl-pentanethioic S-acid
IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylidenepropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpent-4-enoyl]amino]-4-methylpentanethioic S-acid
SYSTEMATIC NAME: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-sulfanylidene-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pent-4-enoyl]amino]-4-methyl-pentanethioic S-acid
MOLECULAR FORMULA: C23H39N5O5S2
MOLECULAR WEIGHT: 529.71626
SMILES: C[C@H](C(=O)N[C@H](C=S)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(=C)C)C(=O)N[C@@H](CC(C)C)C(=O)S)N
Structure:
CAS RN: 59717-63-4
CAS Name: 4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-(phenylmethyl)-2-pyrimidinamine
OPENEYE Name: N-benzyl-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine
IUPAC Name: N-benzyl-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
SYSTEMATIC NAME: 4-chloranyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(phenylmethyl)pyrimidin-2-amine
MOLECULAR FORMULA: C17H22ClN5S
MOLECULAR WEIGHT: 363.90808
SMILES: CN1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)Cl)SC
Structure:
CAS RN: 59653-74-6
CAS Name: 1,3,5-tris[[(2R)-2-oxiranyl]methyl]-1,3,5-triazinane-2,4,6-trione
OPENEYE Name: 1,3,5-tris[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
IUPAC Name: 1,3,5-tris[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3,5-tris[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
MOLECULAR FORMULA: C12H15N3O6
MOLECULAR WEIGHT: 297.264
SMILES: C1[C@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@@H]3CO3)C[C@@H]4CO4
Structure:
CAS RN: 59556-17-1
CAS Name: 5-amino-1-cyclohexa-1,3-dienecarboxylic acid hydrochloride
OPENEYE Name: 5-aminocyclohexa-1,3-diene-1-carboxylic acid hydrochloride
IUPAC Name: 5-aminocyclohexa-1,3-diene-1-carboxylic acid hydrochloride
SYSTEMATIC NAME: 5-azanylcyclohexa-1,3-diene-1-carboxylic acid hydrochloride
MOLECULAR FORMULA: C7H10ClNO2
MOLECULAR WEIGHT: 175.6128
SMILES: C1C(C=CC=C1C(=O)O)N.Cl
Structure:
CAS RN: 59417-74-2
CAS Name: phosphoric acid (3-formyl-4-nitrophenyl) dimethyl ester
OPENEYE Name: (3-formyl-4-nitro-phenyl) dimethyl phosphate
IUPAC Name: (3-formyl-4-nitrophenyl) dimethyl phosphate
SYSTEMATIC NAME: (3-methanoyl-4-nitro-phenyl) dimethyl phosphate
MOLECULAR FORMULA: C9H10NO7P
MOLECULAR WEIGHT: 275.151961
SMILES: COP(=O)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C=O
Structure:
CAS RN: 59417-72-0
CAS Name: 5-dimethoxyphosphinothioyloxy-2-nitrobenzaldehyde
OPENEYE Name: 5-dimethoxyphosphinothioyloxy-2-nitro-benzaldehyde
IUPAC Name: 5-dimethoxyphosphinothioyloxy-2-nitrobenzaldehyde
SYSTEMATIC NAME: 5-dimethoxyphosphinothioyloxy-2-nitro-benzaldehyde
MOLECULAR FORMULA: C9H10NO6PS
MOLECULAR WEIGHT: 291.217561
SMILES: COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C=O
Structure:
CAS RN: 59173-24-9
CAS Name: 1-[4-(3-chlorophenyl)-1-[3-(4-methyl-1-piperazinyl)propyl]-4-piperidinyl]-1-propanone trihydrochloride
OPENEYE Name: 1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidyl]propan-1-one trihydrochloride
IUPAC Name: 1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]propan-1-one trihydrochloride
SYSTEMATIC NAME: 1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]propan-1-one trihydrochloride
MOLECULAR FORMULA: C22H37Cl4N3O
MOLECULAR WEIGHT: 501.36068
SMILES: CCC(=O)C1(CCN(CC1)CCCN2CCN(CC2)C)C3=CC(=CC=C3)Cl.Cl.Cl.Cl
Structure:
CAS RN: 58989-02-9
CAS Name: N-ethyl-N-(4-phenyldiazenylphenyl)hydroxylamine
OPENEYE Name: N-ethyl-N-(4-phenylazophenyl)hydroxylamine
IUPAC Name: N-ethyl-N-(4-phenyldiazenylphenyl)hydroxylamine
SYSTEMATIC NAME: N-ethyl-N-(4-phenyldiazenylphenyl)hydroxylamine
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: CCN(C1=CC=C(C=C1)N=NC2=CC=CC=C2)O
Structure:
CAS RN: 58902-67-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H27NO3S
MOLECULAR WEIGHT: 373.50898
SMILES: CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.CS(=O)(=O)O
Structure:
CAS RN: 58703-79-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H30BrN3O5
MOLECULAR WEIGHT: 556.4482
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.C1=C(C=NC=C1Br)C(=O)O
Structure:
CAS RN: 58447-24-8
CAS Name: 2,5,11-trimethyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium-9-ol iodide
OPENEYE Name: 2,5,11-trimethyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium-9-ol iodide
IUPAC Name: 2,5,11-trimethyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium-9-ol iodide
SYSTEMATIC NAME: 2,5,11-trimethyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium-9-ol iodide
MOLECULAR FORMULA: C18H19IN2O
MOLECULAR WEIGHT: 406.26073
SMILES: CC1=C2C=CN(C=C2C(=C3C1[NH2+]C4=C3C=C(C=C4)O)C)C.[I-]
Structure:
CAS RN: 58259-60-2
CAS Name: [methyl-(methylthio)phosphoryl]oxymethane
OPENEYE Name: [methyl(methylsulfanyl)phosphoryl]oxymethane
IUPAC Name: [methyl(methylsulfanyl)phosphoryl]oxymethane
SYSTEMATIC NAME: [methyl(methylsulfanyl)phosphoryl]oxymethane
MOLECULAR FORMULA: C3H9O2PS
MOLECULAR WEIGHT: 140.141121
SMILES: COP(=O)(C)SC
Structure:
CAS RN: 58199-95-4
CAS Name: 3-acetamido-2,4,6-triiodo-N-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzamide
OPENEYE Name: 3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
IUPAC Name: 3-acetamido-2,4,6-triiodo-N-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
SYSTEMATIC NAME: 3-acetamido-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4,6-tris(iodanyl)-N-methyl-benzamide
MOLECULAR FORMULA: C16H19I3N2O8
MOLECULAR WEIGHT: 748.04407
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC)I)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I
Structure:
CAS RN: 58031-23-5
CAS Name: 3-chloro-4-methyl-3-penten-2-one
OPENEYE Name: 3-chloro-4-methyl-pent-3-en-2-one
IUPAC Name: 3-chloro-4-methylpent-3-en-2-one
SYSTEMATIC NAME: 3-chloranyl-4-methyl-pent-3-en-2-one
MOLECULAR FORMULA: C6H9ClO
MOLECULAR WEIGHT: 132.58806
SMILES: CC(=C(C(=O)C)Cl)C
Structure:
CAS RN: 57864-78-5
CAS Name: 1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-3-carboxylic acid
OPENEYE Name: 1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-3-carboxylic acid
IUPAC Name: 1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-3-carboxylic acid
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazine-3-carboxylic acid
MOLECULAR FORMULA: C8H6N2O4S
MOLECULAR WEIGHT: 226.20924
SMILES: C1=CC=C2C(=C1)NC(=NS2(=O)=O)C(=O)O
Structure:
CAS RN: 57734-67-5
CAS Name: 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methoxyphenyl)methanol
OPENEYE Name: bis(2-methoxyphenyl)-quinuclidin-3-yl-methanol
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methoxyphenyl)methanol
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl-bis(2-methoxyphenyl)methanol
MOLECULAR FORMULA: C22H27NO3
MOLECULAR WEIGHT: 353.45468
SMILES: COC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4OC)O
Structure:
CAS RN: 57665-10-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N4O9
MOLECULAR WEIGHT: 808.95824
SMILES: CCC1(CN2CCC34C1C(C2)CC(C3=NC5=CC=CC=C45)(C6=C(C=C7C(=C6)C89CCN1C8C(C=CC1)(C(C(C9N7C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
Structure:
CAS RN: 57649-10-2
CAS Name: (2R,3S,4S,5R)-3-amino-2,4,5,6-tetrahydroxyhexanal hydrochloride
OPENEYE Name: (2R,3S,4S,5R)-3-amino-2,4,5,6-tetrahydroxy-hexanal hydrochloride
IUPAC Name: (2R,3S,4S,5R)-3-amino-2,4,5,6-tetrahydroxyhexanal hydrochloride
SYSTEMATIC NAME: (2R,3S,4S,5R)-3-azanyl-2,4,5,6-tetrakis(oxidanyl)hexanal hydrochloride
MOLECULAR FORMULA: C6H14ClNO5
MOLECULAR WEIGHT: 215.63206
SMILES: C([C@H]([C@H]([C@@H]([C@H](C=O)O)N)O)O)O.Cl
Structure:
CAS RN: 57641-25-5
CAS Name: 1,3-bis(4-methylphenoxy)-2-propanone
OPENEYE Name: 1,3-bis(4-methylphenoxy)propan-2-one
IUPAC Name: 1,3-bis(4-methylphenoxy)propan-2-one
SYSTEMATIC NAME: 1,3-bis(4-methylphenoxy)propan-2-one
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: CC1=CC=C(C=C1)OCC(=O)COC2=CC=C(C=C2)C
Structure:
CAS RN: 57625-97-5
CAS Name: butanedioic acid; 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole; succinic acid
IUPAC Name: butanedioic acid; 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: butanedioic acid; 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C40H42N4O4
MOLECULAR WEIGHT: 642.78588
SMILES: C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4.C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4.C(CC(=O)O)C(=O)O
Structure:
CAS RN: 4201-23-4
CAS Name: N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine; nitric acid
OPENEYE Name: N-(2-chloro-4-methyl-phenyl)-4,5-dihydro-1H-imidazol-2-amine; nitric acid
IUPAC Name: N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine; nitric acid
SYSTEMATIC NAME: N-(2-chloranyl-4-methyl-phenyl)-4,5-dihydro-1H-imidazol-2-amine; nitric acid
MOLECULAR FORMULA: C10H13ClN4O3
MOLECULAR WEIGHT: 272.68822
SMILES: CC1=CC(=C(C=C1)NC2=NCCN2)Cl.[N+](=O)(O)[O-]
Structure:
CAS RN: 57435-84-4
CAS Name: 6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one
OPENEYE Name: 6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one
IUPAC Name: 6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one
SYSTEMATIC NAME: 6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one
MOLECULAR FORMULA: C14H13N3O
MOLECULAR WEIGHT: 239.27252
SMILES: CC1=C2C(=CN1)NC(=O)CN=C2C3=CC=CC=C3
Structure:
CAS RN: 56915-10-7
CAS Name: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone hydrochloride
OPENEYE Name: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride
IUPAC Name: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one hydrochloride
SYSTEMATIC NAME: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrochloride
MOLECULAR FORMULA: C15H20Cl3N3O
MOLECULAR WEIGHT: 364.6978
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CCCl)CCCl.Cl
Structure:
CAS RN: 56775-92-9
CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester hydrochloride
OPENEYE Name: 2-(pyridine-3-carbonylamino)ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate hydrochloride
IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate hydrochloride
SYSTEMATIC NAME: 2-(pyridin-3-ylcarbonylamino)ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate hydrochloride
MOLECULAR FORMULA: C18H20Cl2N2O4
MOLECULAR WEIGHT: 399.2684
SMILES: CC(C)(C(=O)OCCNC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl.Cl
Structure:
CAS RN: 56476-51-8
CAS Name: N',N'-dimethyl-N-(1,3,7-trimethyl-4-pyrazolo[3,4-b]quinolinyl)propane-1,3-diamine dihydrochloride
OPENEYE Name: N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine dihydrochloride
IUPAC Name: N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine dihydrochloride
SYSTEMATIC NAME: N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine dihydrochloride
MOLECULAR FORMULA: C18H27Cl2N5
MOLECULAR WEIGHT: 384.34648
SMILES: CC1=CC2=C(C=C1)C(=C3C(=NN(C3=N2)C)C)NCCCN(C)C.Cl.Cl
Structure:
CAS RN: 56448-19-2
CAS Name: (2S,5R,6R)-6-[[2-[[(2S)-2-amino-2-carboxyethyl]thio]-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxy-ethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[2-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanylethanoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C13H19N3O6S2
MOLECULAR WEIGHT: 377.43646
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC[C@H](C(=O)O)N)C(=O)O)C
Structure:
CAS RN: 56436-29-4
CAS Name: 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine
OPENEYE Name: 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine
IUPAC Name: 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 5-(2-azanylethyl)-1H-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C4H9N5
MOLECULAR WEIGHT: 127.14776
SMILES: C(CN)C1=NC(=NN1)N
Structure:
CAS RN: 56283-32-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H9NO4
MOLECULAR WEIGHT: 183.16136
SMILES: CC(C1(C2C(O2)C3(C1O3)[N+]#[C-])O)O
Structure:
CAS RN: 83016-49-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H9NO4
MOLECULAR WEIGHT: 183.16136
SMILES: CC(C1(C2C(O2)C3(C1O3)[N+]#[C-])O)O
Structure:
CAS RN: 56265-06-6
CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; (2S)-5-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-2-amino-5-guanidino-pentanoic acid; (2S)-5-oxopyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; (2S)-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H21N5O5
MOLECULAR WEIGHT: 303.31494
SMILES: C1CC(=O)N[C@@H]1C(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N
Structure:
CAS RN: 56222-80-1
CAS Name: (2S)-2-[[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]-oxomethyl]amino]-3-hydroxypropanoic acid
OPENEYE Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-hydroxy-propanoic acid
IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(3R)-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C14H14ClNO7
MOLECULAR WEIGHT: 343.71646
SMILES: C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CO)C(=O)O)Cl
Structure:
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