CAS RN: 129228-52-0
CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)-1-oxohexyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyp
OPENEYE Name: (3S)-3-amino-4-[[(1S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)hexanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)hexanoyl]amino]acetyl]amino]propanoyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-ox
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(1H-indol-3-yl)-2-[2-[[(2S)-2-(methylamino)hexanoyl]amino]ethanoylamino]propanoyl]-[(2S)-2-[[(2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]a
MOLECULAR FORMULA: C53H70N10O13
MOLECULAR WEIGHT: 1055.1821
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)N)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)NC)NC
Structure:
CAS RN: 129225-30-5
CAS Name: 3-(2-oxiranyl)-1H-indole
OPENEYE Name: 3-(oxiran-2-yl)-1H-indole
IUPAC Name: 3-(oxiran-2-yl)-1H-indole
SYSTEMATIC NAME: 3-(oxiran-2-yl)-1H-indole
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: C1C(O1)C2=CNC3=CC=CC=C32
Structure:
CAS RN: 129219-63-2
CAS Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(2-methoxy-1-naphthalenyl)amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[(1S)-1-benzyl-2-[[(1S)-1-[[(2S)-2-[(2-methoxy-1-naphthyl)amino]-3-phenyl-propanoyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(2-methoxynaphthalen-1-yl)amino]-3-phenylpropanoyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(2-methoxynaphthalen-1-yl)amino]-3-phenyl-propanoyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C39H44N4O7
MOLECULAR WEIGHT: 680.78926
SMILES: CC(C)C[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC2=C(C=CC3=CC=CC=C32)OC)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CCC(=O)O
Structure:
CAS RN: 129194-27-0
CAS Name: [2-[8-(5-octyl-1,2,4-trioxolan-3-yl)-1-oxooctoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [3-hexadecanoyloxy-2-[8-(5-octyl-1,2,4-trioxolan-3-yl)octanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [3-hexadecanoyloxy-2-[8-(5-octyl-1,2,4-trioxolan-3-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [3-hexadecanoyloxy-2-[8-(5-octyl-1,2,4-trioxolan-3-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C42H82NO11P
MOLECULAR WEIGHT: 808.074341
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC1OC(OO1)CCCCCCCC
Structure:
CAS RN: 129178-58-1
CAS Name: 1-(1-chloroethenyl)-2,7-dimethoxynaphthalene
OPENEYE Name: 1-(1-chlorovinyl)-2,7-dimethoxy-naphthalene
IUPAC Name: 1-(1-chloroethenyl)-2,7-dimethoxynaphthalene
SYSTEMATIC NAME: 1-(1-chloranylethenyl)-2,7-dimethoxy-naphthalene
MOLECULAR FORMULA: C14H13ClO2
MOLECULAR WEIGHT: 248.70482
SMILES: COC1=CC2=C(C=C1)C=CC(=C2C(=C)Cl)OC
Structure:
CAS RN: 129176-05-2
CAS Name: 2-(bromomethyl)-3-chlorooxirane
OPENEYE Name: 2-(bromomethyl)-3-chloro-oxirane
IUPAC Name: 2-(bromomethyl)-3-chlorooxirane
SYSTEMATIC NAME: 2-(bromomethyl)-3-chloranyl-oxirane
MOLECULAR FORMULA: C3H4BrClO
MOLECULAR WEIGHT: 171.42026
SMILES: C(C1C(O1)Cl)Br
Structure:
CAS RN: 129175-17-3
CAS Name: 2-pyridin-4-ylacetic acid (4-tert-butylcyclohexyl) ester
OPENEYE Name: (4-tert-butylcyclohexyl) 2-(4-pyridyl)acetate
IUPAC Name: (4-tert-butylcyclohexyl) 2-pyridin-4-ylacetate
SYSTEMATIC NAME: (4-tert-butylcyclohexyl) 2-pyridin-4-ylethanoate
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CC(C)(C)C1CCC(CC1)OC(=O)CC2=CC=NC=C2
Structure:
CAS RN: 129173-57-5
CAS Name: acetic acid [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-8-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester hydrochloride
OPENEYE Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-8-(2-thienylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-8-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-8-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C27H31ClN2O4S2
MOLECULAR WEIGHT: 547.12904
SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC(=C2)CC3=CC=CS3)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC.Cl
Structure:
CAS RN: 112922-55-1
CAS Name: 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methyl-1-propanol
OPENEYE Name: 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methyl-propan-1-ol
IUPAC Name: 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methyl-propan-1-ol
MOLECULAR FORMULA: C12H17Cl2NO
MOLECULAR WEIGHT: 262.17548
SMILES: CC(CC1=CC(=C(C=C1)Cl)Cl)(CO)N(C)C
Structure:
CAS RN: 129162-62-5
CAS Name: 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methyl-1-propanol hydrochloride
OPENEYE Name: 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methyl-propan-1-ol hydrochloride
IUPAC Name: 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol hydrochloride
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methyl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C12H18Cl3NO
MOLECULAR WEIGHT: 298.63642
SMILES: CC(CC1=CC(=C(C=C1)Cl)Cl)(CO)N(C)C.Cl
Structure:
CAS RN: 129149-89-9
CAS Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-oxazolecarboxamide
OPENEYE Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxazole-4-carboxamide
IUPAC Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-oxazole-4-carboxamide
SYSTEMATIC NAME: 2-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-oxazole-4-carboxamide
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 244.20138
SMILES: C1=C(N=C(O1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
Structure:
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