CAS RN: 108351-49-1
CAS Name: 6-[4-amino-5-(hydroxymethyl)-2-oxo-1-pyrimidinyl]-3-[[3-[(2-amino-4-methyl-1-oxopentyl)amino]-5-[carbamimidoyl(methyl)amino]-1-oxopentyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid
OPENEYE Name: 6-[4-amino-5-(hydroxymethyl)-2-oxo-pyrimidin-1-yl]-3-[[3-[(2-amino-4-methyl-pentanoyl)amino]-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid
IUPAC Name: 6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-[[3-[(2-amino-4-methylpentanoyl)amino]-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid
SYSTEMATIC NAME: 6-[4-azanyl-5-(hydroxymethyl)-2-oxidanylidene-pyrimidin-1-yl]-3-[[3-[(2-azanyl-4-methyl-pentanoyl)amino]-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid
MOLECULAR FORMULA: C24H39N9O7
MOLECULAR WEIGHT: 565.62256
SMILES: CC(C)CC(C(=O)NC(CCN(C)C(=N)N)CC(=O)NC1C=CC(OC1C(=O)O)N2C=C(C(=NC2=O)N)CO)N
Structure:
CAS RN: 107438-79-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O10
MOLECULAR WEIGHT: 424.39856
SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
Structure:
CAS RN: 107430-03-5
CAS Name: 7-[(4,5-dihydroxy-3-iodo-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(hydroxymethyl)-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 7-(4,5-dihydroxy-3-iodo-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(hydroxymethyl)-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 7-(4,5-dihydroxy-3-iodo-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(hydroxymethyl)-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 9-(hydroxymethyl)-7-[3-iodanyl-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C25H25IO10
MOLECULAR WEIGHT: 612.36447
SMILES: CC1C(C(C(C(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(CO)O)I)O)O
Structure:
CAS RN: 117721-47-8
CAS Name: 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2,3,4,5-tetrachlorophenyl)-1-cyclohexanecarboxamide
OPENEYE Name: 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2,3,4,5-tetrachlorophenyl)cyclohexanecarboxamide
IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2,3,4,5-tetrachlorophenyl)cyclohexane-1-carboxamide
SYSTEMATIC NAME: 1,2,2,3,3,4,4,5,5,6,6-undecakis(fluoranyl)-N-[2,3,4,5-tetrakis(chloranyl)phenyl]cyclohexane-1-carboxamide
MOLECULAR FORMULA: C13H2Cl4F11NO
MOLECULAR WEIGHT: 538.955515
SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)NC(=O)C2(C(C(C(C(C2(F)F)(F)F)(F)F)(F)F)(F)F)F
Structure:
CAS RN: 106990-43-6
CAS Name: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amin
OPENEYE Name: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]amino]prop
IUPAC Name: 6-N-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ami
SYSTEMATIC NAME: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amin
MOLECULAR FORMULA: C132H250N32
MOLECULAR WEIGHT: 2285.6118
SMILES: CCCCN(C1CC(N(C(C1)(C)C)C)(C)C)C2=NC(=NC(=N2)NCCCN(CCN(CCCNC3=NC(=NC(=N3)N(CCCC)C4CC(N(C(C4)(C)C)C)(C)C)N(CCCC)C5CC(N(C(C5)(C)C)C)(C)C)C6=NC(=NC(=N6)N(CCCC)C7CC(N(C(C7)(C)C)C)(C)C)N(CCCC)C8CC(N(C(C8)(C)C)C)(C)C)C9=NC(=NC(=N9)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)
Structure:
CAS RN: 122177-25-7
CAS Name: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amin
OPENEYE Name: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]amino]prop
IUPAC Name: 6-N-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ami
SYSTEMATIC NAME: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amin
MOLECULAR FORMULA: C132H250N32
MOLECULAR WEIGHT: 2285.6118
SMILES: CCCCN(C1CC(N(C(C1)(C)C)C)(C)C)C2=NC(=NC(=N2)NCCCN(CCN(CCCNC3=NC(=NC(=N3)N(CCCC)C4CC(N(C(C4)(C)C)C)(C)C)N(CCCC)C5CC(N(C(C5)(C)C)C)(C)C)C6=NC(=NC(=N6)N(CCCC)C7CC(N(C(C7)(C)C)C)(C)C)N(CCCC)C8CC(N(C(C8)(C)C)C)(C)C)C9=NC(=NC(=N9)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)
Structure:
CAS RN: 370868-42-1
CAS Name: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amin
OPENEYE Name: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]amino]prop
IUPAC Name: 6-N-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ami
SYSTEMATIC NAME: N6-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amin
MOLECULAR FORMULA: C132H250N32
MOLECULAR WEIGHT: 2285.6118
SMILES: CCCCN(C1CC(N(C(C1)(C)C)C)(C)C)C2=NC(=NC(=N2)NCCCN(CCN(CCCNC3=NC(=NC(=N3)N(CCCC)C4CC(N(C(C4)(C)C)C)(C)C)N(CCCC)C5CC(N(C(C5)(C)C)C)(C)C)C6=NC(=NC(=N6)N(CCCC)C7CC(N(C(C7)(C)C)C)(C)C)N(CCCC)C8CC(N(C(C8)(C)C)C)(C)C)C9=NC(=NC(=N9)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)
Structure:
CAS RN: 116928-93-9
CAS Name: 1-(phenylmethyl)sulfonyl-1a,9b-dihydrophenanthro[9,10-b]azirine
OPENEYE Name: 1-benzylsulfonyl-1a,9b-dihydrophenanthro[9,10-b]azirine
IUPAC Name: 1-benzylsulfonyl-1a,9b-dihydrophenanthro[9,10-b]azirine
SYSTEMATIC NAME: 1-(phenylmethyl)sulfonyl-1a,9b-dihydrophenanthro[9,10-b]azirine
MOLECULAR FORMULA: C21H17NO2S
MOLECULAR WEIGHT: 347.43018
SMILES: C1=CC=C(C=C1)CS(=O)(=O)N2C3C2C4=CC=CC=C4C5=CC=CC=C35
Structure:
CAS RN: 106635-81-8
CAS Name: butanedioic acid; N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolinyl]pentane-1,4-diamine
OPENEYE Name: N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]-8-quinolyl]pentane-1,4-diamine; succinic acid
IUPAC Name: butanedioic acid; 4-N-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
SYSTEMATIC NAME: butanedioic acid; N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
MOLECULAR FORMULA: C28H34F3N3O7
MOLECULAR WEIGHT: 581.58067
SMILES: CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC.C(CC(=O)O)C(=O)O
Structure:
CAS RN: 116610-92-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O2
MOLECULAR WEIGHT: 286.32396
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C[C@@H]([C@H](C5=CC=CC3=C54)O)O
Structure:
CAS RN: 105628-07-7
CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
OPENEYE Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
SYSTEMATIC NAME: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
MOLECULAR FORMULA: C14H18ClN3O2S
MOLECULAR WEIGHT: 327.82962
SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl
Structure:
CAS RN: 103745-39-7
CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
OPENEYE Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
SYSTEMATIC NAME: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride
MOLECULAR FORMULA: C14H18ClN3O2S
MOLECULAR WEIGHT: 327.82962
SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl
Structure:
CAS RN: 115075-59-7
CAS Name: 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol
OPENEYE Name: 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol
IUPAC Name: 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol
SYSTEMATIC NAME: 2-[(4R)-4-[(3S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Structure:
CAS RN: 104993-28-4
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 119329-39-4
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 129051-67-8
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 214767-51-8
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 389064-08-8
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 393796-46-8
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 393796-99-1
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 412015-07-7
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 816468-88-9
CAS Name: (2S,3S,4R,5R,6R)-6-[[(2R,3R,4R,5R)-6-[[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-5-sulfooxy-3-oxanyl]oxy]-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-[[(2
OPENEYE Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)tet
IUPAC Name: (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfo
MOLECULAR FORMULA: C31H53N3O49S8
MOLECULAR WEIGHT: 1508.26322
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS
Structure:
CAS RN: 114716-83-5
CAS Name: (4aR,5R,6R,8aR)-2-(6,10-dimethylundecan-2-yl)-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-ol
OPENEYE Name: (4aR,5R,6R,8aR)-5,8a-dimethyl-2-(1,5,9-trimethyldecyl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-ol
IUPAC Name: (4aR,5R,6R,8aR)-2-(6,10-dimethylundecan-2-yl)-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-ol
SYSTEMATIC NAME: (4aR,5R,6R,8aR)-2-(6,10-dimethylundecan-2-yl)-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-ol
MOLECULAR FORMULA: C24H47NO
MOLECULAR WEIGHT: 365.63608
SMILES: C[C@@H]1[C@H]2CCN(C[C@@]2(CC[C@H]1O)C)C(C)CCCC(C)CCCC(C)C
Structure:
CAS RN: 103938-84-7
CAS Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-thiophen-2-ylpentanedinitrile
OPENEYE Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-(2-thienyl)pentanedinitrile
IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-thiophen-2-ylpentanedinitrile
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-thiophen-2-yl-pentanedinitrile
MOLECULAR FORMULA: C17H24Cl4N6O4S
MOLECULAR WEIGHT: 550.28726
SMILES: C1=CSC(=C1)C(C(C#N)[N+](=O)[O-])C(C#N)[N+](=O)[O-].C(CCl)NCCCl.C(CCl)NCCCl
Structure:
CAS RN: 103878-83-7
CAS Name: N-(2-aminoethyl)-5-chloro-2-pyridinecarboxamide hydrochloride
OPENEYE Name: N-(2-aminoethyl)-5-chloro-pyridine-2-carboxamide hydrochloride
IUPAC Name: N-(2-aminoethyl)-5-chloropyridine-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-(2-azanylethyl)-5-chloranyl-pyridine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C8H11Cl2N3O
MOLECULAR WEIGHT: 236.09844
SMILES: C1=CC(=NC=C1Cl)C(=O)NCCN.Cl
Structure:
CAS RN: 102996-80-5
CAS Name: sodium [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-(phenylmethyl)carbamodithioic acid
OPENEYE Name: sodium benzyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
IUPAC Name: sodium benzyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
SYSTEMATIC NAME: sodium [(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]-(phenylmethyl)carbamodithioic acid
MOLECULAR FORMULA: C14H21NNaO5S2+
MOLECULAR WEIGHT: 370.44001
SMILES: C1=CC=C(C=C1)CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=S)S.[Na+]
Structure:
CAS RN: 109771-11-1
CAS Name: (2R,4R)-2-(2-hydroxyphenyl)-3-(3-methylsulfinyl-1-oxopropyl)-4-thiazolidinecarboxylic acid
OPENEYE Name: (2R,4R)-2-(2-hydroxyphenyl)-3-(3-methylsulfinylpropanoyl)thiazolidine-4-carboxylic acid
IUPAC Name: (2R,4R)-2-(2-hydroxyphenyl)-3-(3-methylsulfinylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: (2R,4R)-2-(2-hydroxyphenyl)-3-(3-methylsulfinylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C14H17NO5S2
MOLECULAR WEIGHT: 343.41848
SMILES: CS(=O)CCC(=O)N1[C@@H](CS[C@@H]1C2=CC=CC=C2O)C(=O)O
Structure:
CAS RN: 109430-02-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H46N2O8
MOLECULAR WEIGHT: 694.81254
SMILES: CCCCCN1C=C2C[C@@H]3[C@H](C=C(CN3C)C)C4=C2C1=CC=C4.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
Structure:
CAS RN: 101152-94-7
CAS Name: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-1-cyclopropanecarboxamide hydrochloride
OPENEYE Name: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropanecarboxamide hydrochloride
IUPAC Name: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride
SYSTEMATIC NAME: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide hydrochloride
MOLECULAR FORMULA: C15H23ClN2O
MOLECULAR WEIGHT: 282.80892
SMILES: CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2.Cl
Structure:
CAS RN: 86181-08-0
CAS Name: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-1-cyclopropanecarboxamide hydrochloride
OPENEYE Name: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropanecarboxamide hydrochloride
IUPAC Name: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride
SYSTEMATIC NAME: (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide hydrochloride
MOLECULAR FORMULA: C15H23ClN2O
MOLECULAR WEIGHT: 282.80892
SMILES: CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2.Cl
Structure:
CAS RN: 100288-36-6
CAS Name: (3aR,4S,5S,8R,8aR)-4-hydroxy-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarboxaldehyde
OPENEYE Name: (3aR,4S,5S,8R,8aR)-4-hydroxy-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarbaldehyde
IUPAC Name: (3aR,4S,5S,8R,8aR)-4-hydroxy-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarbaldehyde
SYSTEMATIC NAME: (3aR,4S,5S,8R,8aR)-2,2,8-trimethyl-4-oxidanyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarbaldehyde
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C[C@H]1C=C([C@@H]([C@H]([C@H]2[C@@H]1CC(C2)(C)C)O)C=O)C=O
Structure:
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