CAS RN: 107534-95-2
CAS Name: (2R)-2-[[(2S)-4-methyl-1-oxo-1-(1-pyrrolidinyl)pentan-2-yl]amino]propanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-[[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]amino]propanoate
IUPAC Name: ethyl (2R)-2-[[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]amino]propanoate
SYSTEMATIC NAME: ethyl (2R)-2-[[(2S)-4-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-pentan-2-yl]amino]propanoate
MOLECULAR FORMULA: C15H28N2O3
MOLECULAR WEIGHT: 284.39442
SMILES: CCOC(=O)[C@@H](C)N[C@@H](CC(C)C)C(=O)N1CCCC1
Structure:
CAS RN: 123050-22-6
CAS Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]oxane-2,4,5-triol
OPENEYE Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol
IUPAC Name: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
SYSTEMATIC NAME: (2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-2,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
Structure:
CAS RN: 123048-04-4
CAS Name: 10-(1,6-diamino-3-phenyl-4-phenanthrenyl)decyl-trimethylammonium iodide hydroiodide
OPENEYE Name: 10-(1,6-diamino-3-phenyl-4-phenanthryl)decyl-trimethyl-ammonium iodide hydroiodide
IUPAC Name: 10-(1,6-diamino-3-phenylphenanthren-4-yl)decyl-trimethylazanium iodide hydroiodide
SYSTEMATIC NAME: 10-[1,6-bis(azanyl)-3-phenyl-phenanthren-4-yl]decyl-trimethyl-azanium iodide hydroiodide
MOLECULAR FORMULA: C33H45I2N3
MOLECULAR WEIGHT: 737.53944
SMILES: C[N+](C)(C)CCCCCCCCCCC1=C2C(=C(C=C1C3=CC=CC=C3)N)C=CC4=C2C=C(C=C4)N.I.[I-]
Structure:
CAS RN: 107531-14-6
CAS Name: (3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-4-[[(1S)-3-amino-1-[[(1S)-2-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-3-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-4-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-
MOLECULAR FORMULA: C25H36N6O12
MOLECULAR WEIGHT: 612.58634
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N)O
Structure:
CAS RN: 123048-02-2
CAS Name: bromo-(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)mercury
OPENEYE Name: bromo-(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)mercury
IUPAC Name: bromo-(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)mercury
SYSTEMATIC NAME: bromanyl-(2,2,6,6-tetramethyl-1-oxidanyl-3H-pyridin-4-yl)mercury
MOLECULAR FORMULA: C9H16BrHgNO
MOLECULAR WEIGHT: 434.72344
SMILES: CC1(CC(=CC(N1O)(C)C)[Hg]Br)C
Structure:
CAS RN: 107500-78-7
CAS Name: (2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester
OPENEYE Name: methyl (2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-tert-butoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
IUPAC Name: methyl (2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
SYSTEMATIC NAME: methyl (2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C26H40N4O7
MOLECULAR WEIGHT: 520.6184
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)OC
Structure:
CAS RN: 123027-69-0
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrazole-3,4-dicarboxamide
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrazole-3,4-dicarboxamide
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide
MOLECULAR FORMULA: C10H14N4O6
MOLECULAR WEIGHT: 286.24136
SMILES: C1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)C(=O)N
Structure:
CAS RN: 107480-21-7
CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid [(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
IUPAC Name: [(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
SYSTEMATIC NAME: [(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
MOLECULAR FORMULA: C33H46Cl2N2O3
MOLECULAR WEIGHT: 589.63594
SMILES: C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl
Structure:
CAS RN: 123027-68-9
CAS Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]triazole-4,5-dicarboxamide
OPENEYE Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]triazole-4,5-dicarboxamide
IUPAC Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4,5-dicarboxamide
SYSTEMATIC NAME: 2-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,3-triazole-4,5-dicarboxamide
MOLECULAR FORMULA: C9H13N5O6
MOLECULAR WEIGHT: 287.22942
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)N2N=C(C(=N2)C(=O)N)C(=O)N)O)O)O
Structure:
CAS RN: 107465-03-2
CAS Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)propyl]benzene
OPENEYE Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)propyl]benzene
IUPAC Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)propyl]benzene
SYSTEMATIC NAME: 1-[2,2-bis(chloranyl)-1-(2-chlorophenyl)propyl]-4-chloranyl-benzene
MOLECULAR FORMULA: C15H12Cl4
MOLECULAR WEIGHT: 334.06778
SMILES: CC(C(C1=CC=C(C=C1)Cl)C2=CC=CC=C2Cl)(Cl)Cl
Structure:
CAS RN: 123018-48-4
CAS Name: 3-[3-(1-piperidinyl)propyl]-8,8-dipropyl-3-azaspiro[4.5]decane
OPENEYE Name: 3-[3-(1-piperidyl)propyl]-8,8-dipropyl-3-azaspiro[4.5]decane
IUPAC Name: 3-(3-piperidin-1-ylpropyl)-8,8-dipropyl-3-azaspiro[4.5]decane
SYSTEMATIC NAME: 3-(3-piperidin-1-ylpropyl)-8,8-dipropyl-3-azaspiro[4.5]decane
MOLECULAR FORMULA: C23H44N2
MOLECULAR WEIGHT: 348.60886
SMILES: CCCC1(CCC2(CC1)CCN(C2)CCCN3CCCCC3)CCC
Structure:
CAS RN: 123025-94-5
CAS Name: (4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-[[(2S)-3-ca
OPENEYE Name: (4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-[[(1S)-1-(carboxymeth
IUPAC Name: (4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-3-carboxy-1-[(2S)-2-
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[[(2S)
MOLECULAR FORMULA: C53H87N13O21
MOLECULAR WEIGHT: 1242.33238
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N
Structure:
CAS RN: 107447-03-0
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-butanamine
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)butan-2-amine
IUPAC Name: 1-(1,3-benzodioxol-5-yl)butan-2-amine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)butan-2-amine
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCC(CC1=CC2=C(C=C1)OCO2)N
Structure:
CAS RN: 123018-47-3
CAS Name: 3-(8,8-dipropyl-3-azaspiro[4.5]decan-3-yl)-N,N-diethyl-1-propanamine
OPENEYE Name: 3-(8,8-dipropyl-3-azaspiro[4.5]decan-3-yl)-N,N-diethyl-propan-1-amine
IUPAC Name: 3-(8,8-dipropyl-3-azaspiro[4.5]decan-3-yl)-N,N-diethylpropan-1-amine
SYSTEMATIC NAME: 3-(8,8-dipropyl-3-azaspiro[4.5]decan-3-yl)-N,N-diethyl-propan-1-amine
MOLECULAR FORMULA: C22H44N2
MOLECULAR WEIGHT: 336.59816
SMILES: CCCC1(CCC2(CC1)CCN(C2)CCCN(CC)CC)CCC
Structure:
CAS RN: 123016-74-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21N3O5
MOLECULAR WEIGHT: 371.38714
SMILES: CN1CCC23[C@@H]4C5(CCC2(C1CC6=C3C(=C(C=C6)O)O4)O)C(=O)NC(=O)N5
Structure:
CAS RN: 107432-96-2
CAS Name: (2S)-2-amino-5-[[(2S)-2-[3-[(2S)-2-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]-1,4-dioxo-2-naphthalenyl]-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(1S)-1-[3-[(1S)-1-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]-1,4-dioxo-2-naphthyl]-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2S)-2-[3-[(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]-1,4-dioxonaphthalen-2-yl]-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2S)-2-[3-[(2S)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]-1,4-bis(oxidanylidene)naphthalen-2-yl]-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-su
MOLECULAR FORMULA: C30H36N6O14S2
MOLECULAR WEIGHT: 768.76864
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)[C@@](CS)(C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[C@@](CS)(C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Structure:
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