CAS RN: 74465-19-3
CAS Name: [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate
OPENEYE Name: [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexyl] dihydrogen phosphate
IUPAC Name: [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,5S,6S)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H14O12P2
MOLECULAR WEIGHT: 340.115682
SMILES: [C@H]1([C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O
Structure:
CAS RN: 47055-78-7
CAS Name: [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate
OPENEYE Name: [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexyl] dihydrogen phosphate
IUPAC Name: [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,5S,6S)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H14O12P2
MOLECULAR WEIGHT: 340.115682
SMILES: [C@H]1([C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O
Structure:
CAS RN: 13767-12-9
CAS Name: tetracalcium hydrogen phosphate diphosphate
OPENEYE Name: tetracalcium hydrogen phosphate diphosphate
IUPAC Name: tetracalcium hydrogen phosphate diphosphate
SYSTEMATIC NAME: tetracalcium hydrogen phosphate diphosphate
MOLECULAR FORMULA: Ca4HO12P3
MOLECULAR WEIGHT: 446.234023
SMILES: OP(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
Structure:
CAS RN: 63307-63-1
CAS Name: (2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C30H40N6O6S
MOLECULAR WEIGHT: 612.7402
SMILES: CSCC[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 111050-72-7
CAS Name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
OPENEYE Name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxy-phenyl)hexan-1-one
IUPAC Name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)-4-methoxy-2,6-bis(oxidanyl)phenyl]hexan-1-one
MOLECULAR FORMULA: C13H16Cl2O4
MOLECULAR WEIGHT: 307.16974
SMILES: CCCCCC(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O
Structure:
CAS RN: 148056-42-2
CAS Name: [3-[1-(3,4-dichlorophenyl)ethylamino]-2-hydroxypropyl]-(phenylmethyl)phosphinic acid
OPENEYE Name: benzyl-[3-[1-(3,4-dichlorophenyl)ethylamino]-2-hydroxy-propyl]phosphinic acid
IUPAC Name: benzyl-[3-[1-(3,4-dichlorophenyl)ethylamino]-2-hydroxypropyl]phosphinic acid
SYSTEMATIC NAME: [3-[1-(3,4-dichlorophenyl)ethylamino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
MOLECULAR FORMULA: C18H22Cl2NO3P
MOLECULAR WEIGHT: 402.251941
SMILES: CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2=CC=CC=C2)O)O
Structure:
CAS RN: 64695-06-3
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpe
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]
MOLECULAR FORMULA: C41H63N11O10
MOLECULAR WEIGHT: 870.00662
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 157380-72-8
CAS Name: disodium 2-[(2R,5S,8S,11S,14S,17R)-8-(carboxylatomethyl)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetate
OPENEYE Name: disodium 2-[(2R,5S,8S,11S,14S,17R)-8-(carboxylatomethyl)-17-(1H-indol-3-ylmethyl)-14-isobutyl-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-11-(2-thienyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetate
IUPAC Name: disodium 2-[(2R,5S,8S,11S,14S,17R)-8-(carboxylatomethyl)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetate
SYSTEMATIC NAME: disodium 2-[(2R,5S,8S,11S,14S,17R)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-8-(2-oxidanidyl-2-oxidanylidene-ethyl)-3,6,9,12,15,18-hexakis(oxidanylidene)-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooct
MOLECULAR FORMULA: C45H51N9Na2O11S
MOLECULAR WEIGHT: 971.98468
SMILES: CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)C2=CC=CS2)CC(=O)[O-])CC(=O)N3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-])CC5=CNC6=CC=CC=C65.[Na+].[Na+]
Structure:
CAS RN: 124549-08-2
CAS Name: 4-[6-[13-[2-(2,4-dicarboxyphenyl)-5-methoxy-6-benzofuranyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-2-benzofuranyl]benzene-1,3-dicarboxylic acid
OPENEYE Name: 4-[6-[13-[2-(2,4-dicarboxyphenyl)-5-methoxy-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-benzofuran-2-yl]benzene-1,3-dicarboxylic acid
IUPAC Name: 4-[6-[13-[2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 4-[6-[13-[2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C44H42N2O15
MOLECULAR WEIGHT: 838.80868
SMILES: COC1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)C(=O)O)C(=O)O)N4CCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C=C(C=C7)C(=O)O)C(=O)O)OC
Structure:
CAS RN: 116649-85-5
CAS Name: 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
OPENEYE Name: 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
IUPAC Name: 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
SYSTEMATIC NAME: 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
MOLECULAR FORMULA: C21H21FN2O4S
MOLECULAR WEIGHT: 416.465843
SMILES: C1CC2=C(C[C@@H]1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O
Structure:
CAS RN: 122752-15-2
CAS Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[[1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[1-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]am
MOLECULAR FORMULA: C37H52N8O10
MOLECULAR WEIGHT: 768.85638
SMILES: C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 71901-21-8
CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamidohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamidohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamidohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C43H65N7O9
MOLECULAR WEIGHT: 824.0177
SMILES: CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC=O
Structure:
CAS RN: 1190-00-7
CAS Name: 2-aminoethyl 2,3-dihydroxypropyl hydrogen phosphate
OPENEYE Name: 2-aminoethyl 2,3-dihydroxypropyl hydrogen phosphate
IUPAC Name: 2-aminoethyl 2,3-dihydroxypropyl hydrogen phosphate
SYSTEMATIC NAME: 2-azanylethyl 2,3-bis(oxidanyl)propyl hydrogen phosphate
MOLECULAR FORMULA: C5H14NO6P
MOLECULAR WEIGHT: 215.141521
SMILES: C(COP(=O)(O)OCC(CO)O)N
Structure:
CAS RN: 106021-96-9
CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino
OPENEYE Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butan
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]am
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-penta
MOLECULAR FORMULA: C39H64N12O19
MOLECULAR WEIGHT: 1004.99446
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)N
Structure:
CAS RN: 21894-72-4
CAS Name: 1-(4-iodophenyl)-2-propanamine
OPENEYE Name: 1-(4-iodophenyl)propan-2-amine
IUPAC Name: 1-(4-iodophenyl)propan-2-amine
SYSTEMATIC NAME: 1-(4-iodophenyl)propan-2-amine
MOLECULAR FORMULA: C9H12IN
MOLECULAR WEIGHT: 261.10275
SMILES: CC(CC1=CC=C(C=C1)I)N
Structure:
CAS RN: 802032-35-5
CAS Name: 3-[(trimethylammonio)amino]propanoate
OPENEYE Name: 3-[(trimethylammonio)amino]propanoate
IUPAC Name: 3-[(trimethylazaniumyl)amino]propanoate
SYSTEMATIC NAME: 3-[(trimethylazaniumyl)amino]propanoate
MOLECULAR FORMULA: C6H14N2O2
MOLECULAR WEIGHT: 146.18756
SMILES: C[N+](C)(C)NCCC(=O)[O-]
Structure:
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