CAS RN: 147363-83-5
CAS Name: (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
OPENEYE Name: (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
IUPAC Name: (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
SYSTEMATIC NAME: (5R,7Z,10Z)-5-propyl-1-oxa-4-azacyclopentadeca-7,10-dien-15-one
MOLECULAR FORMULA: C16H27NO2
MOLECULAR WEIGHT: 265.39108
SMILES: CCC[C@@H]1C/C=C\C/C=C\CCCC(=O)OCCN1
Structure:
CAS RN: 146797-82-2
CAS Name: [(2R)-3-hexadecoxy-2-[[(5E,8E,11E,14E)-1-oxoeicosa-5,8,11,14-tetraenyl]thio]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-hexadecoxy-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-hexadecoxy-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecoxy-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H82NO6PS
MOLECULAR WEIGHT: 784.163741
SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
Structure:
CAS RN: 146269-39-8
CAS Name: (E)-N-[4-[[amino(3-methylbut-2-enylimino)methyl]amino]butyl]-3-(3,4-dimethoxyphenyl)-2-propenamide
OPENEYE Name: (E)-3-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]prop-2-enamide
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]prop-2-enamide
MOLECULAR FORMULA: C21H32N4O3
MOLECULAR WEIGHT: 388.50378
SMILES: CC(=CCN=C(N)NCCCCNC(=O)/C=C/C1=CC(=C(C=C1)OC)OC)C
Structure:
CAS RN: 146087-19-6
CAS Name: (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]cyclohex-4-ene-1,3-dione
OPENEYE Name: (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]cyclohex-4-ene-1,3-dione
IUPAC Name: (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
SYSTEMATIC NAME: (6E)-2,4-bis[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-[(E)-3-(4-hydroxyphenyl)-1-oxidanyl-prop-2-enylidene]-2,5-bis(oxidanyl)cyclohex-4-ene-1,3-dione
MOLECULAR FORMULA: C27H32O16
MOLECULAR WEIGHT: 612.53338
SMILES: C1=CC(=CC=C1/C=C/C(=C\2/C(=C(C(=O)C(C2=O)([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)/O)O
Structure:
CAS RN: 78281-02-4
CAS Name: (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]cyclohex-4-ene-1,3-dione
OPENEYE Name: (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]cyclohex-4-ene-1,3-dione
IUPAC Name: (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
SYSTEMATIC NAME: (6E)-2,4-bis[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-6-[(E)-3-(4-hydroxyphenyl)-1-oxidanyl-prop-2-enylidene]-2,5-bis(oxidanyl)cyclohex-4-ene-1,3-dione
MOLECULAR FORMULA: C27H32O16
MOLECULAR WEIGHT: 612.53338
SMILES: C1=CC(=CC=C1/C=C/C(=C\2/C(=C(C(=O)C(C2=O)([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)/O)O
Structure:
CAS RN: 145985-09-7
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(6R,7R,8S)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] ester
OPENEYE Name: [(6R,7R,8S)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [(6R,7R,8S)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(6R,7R,8S)-2-[3,4-bis(oxidanyl)phenyl]-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C29H34O15
MOLECULAR WEIGHT: 622.57126
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC3C2OC(CO3)C4=CC(=C(C=C4)O)O)CO)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
Structure:
CAS RN: 145142-83-2
CAS Name: 7-methyloctanoic acid [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester
OPENEYE Name: [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 7-methyloctanoate
IUPAC Name: [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 7-methyloctanoate
SYSTEMATIC NAME: [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-azanylethyl)-10-[(2S)-3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 7-methyloctanoate
MOLECULAR FORMULA: C34H56NO10P
MOLECULAR WEIGHT: 669.782901
SMILES: CCC1C=CC(=O)O[C@H]1/C=C/[C@](CCN)([C@@H](C[C@H](/C=C\C=C/[C@@H]2CCC[C@@H](C2)OC(=O)CCCCCC(C)C)O)OP(=O)(O)O)O
Structure:
CAS RN: 144577-06-0
CAS Name: (E)-2-butenedioic acid bis[hydroxy(methoxy)phosphoryl] ester
OPENEYE Name: bis[hydroxy(methoxy)phosphoryl] (E)-but-2-enedioate
IUPAC Name: bis[hydroxy(methoxy)phosphoryl] (E)-but-2-enedioate
SYSTEMATIC NAME: bis[methoxy(oxidanyl)phosphoryl] (E)-but-2-enedioate
MOLECULAR FORMULA: C6H10O10P2
MOLECULAR WEIGHT: 304.085122
SMILES: COP(=O)(O)OC(=O)/C=C/C(=O)OP(=O)(O)OC
Structure:
CAS RN: 143906-47-2
CAS Name: 3-[[(10E,12E,18Z,20E)-15-[(E)-10-[[amino(methylimino)methyl]amino]dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[(10E,12E,18Z,20E)-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-15-[(E)-1-methyl-9-[(N'-methylcarbamimidoyl)amino]non-5-enyl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-[[(10E,12E,18Z,20E)-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[[(10E,12E,18Z,20E)-8,10,14,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxidanylidene
MOLECULAR FORMULA: C56H95N3O17
MOLECULAR WEIGHT: 1082.3634
SMILES: CC1CCC(C(C(CC(C(/C=C/C=C\C(=O)OC(C(/C=C/C=C(/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)\C)C)C(C)CCC/C=C/CCCNC(=NC)N)C)O)O)C)O
Structure:
CAS RN: 143906-45-0
CAS Name: 3-[[(10E,12E,18Z,20E)-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-15-[(E)-10-[[methylamino(methylimino)methyl]amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[(10E,12E,18Z,20E)-15-[(E)-9-[(N,N'-dimethylcarbamimidoyl)amino]-1-methyl-non-5-enyl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-[[(10E,12E,18Z,20E)-15-[(E)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[[(10E,12E,18Z,20E)-15-[(E)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-8,10,14,22,26,30-hexamethyl-5,7,9,23,25,27,31,33,34,35-decakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxidanyli
MOLECULAR FORMULA: C57H97N3O17
MOLECULAR WEIGHT: 1096.38998
SMILES: CC1CCC(C(C(CC(C(/C=C/C=C\C(=O)OC(C(/C=C/C=C(/C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)\C)C)C(C)CCC/C=C/CCCNC(=NC)NC)C)O)O)C)O
Structure:
CAS RN: 142632-01-7
CAS Name: (2Z,4E,6Z,8E)-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4E,6Z,8E)-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
IUPAC Name: (2Z,4E,6Z,8E)-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-4-fluoranyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C20H27FO
MOLECULAR WEIGHT: 302.426183
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C(/C(=C\C=O)/C)\F)/C
Structure:
CAS RN: 141695-65-0
CAS Name: N-[2-[[(E)-3-[[3,3-dimethyl-1-[[(E)-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-[[(E)-1-[[2,2-dimethyl-1-[[(E)-1-[[1-methyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-2-phenyl-vinyl]carbamoyl]propyl]carbamoyl]-2-phenyl-vinyl]amino]-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[2-[[(E)-3-[[3,3-dimethyl-1-[[(E)-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-[[(E)-3-[[3,3-dimethyl-1-[[(E)-3-[[1-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]amino]-2-oxidanylidene-ethyl]car
MOLECULAR FORMULA: C35H46N6O7
MOLECULAR WEIGHT: 662.77574
SMILES: CC(C(=O)NC)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C(C(C)(C)C)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)CNC(=O)OC(C)(C)C
Structure:
CAS RN: 141443-40-5
CAS Name: (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
OPENEYE Name: (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
IUPAC Name: (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
SYSTEMATIC NAME: (17Z,19Z,21Z,23Z,25Z)-3-ethyl-15,27,28-trimethyl-4,6,10,12,14,16-hexakis(oxidanyl)-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
MOLECULAR FORMULA: C32H52O8
MOLECULAR WEIGHT: 564.75048
SMILES: CCC1C(CC(CCCC(CC(CC(C(C(/C=C\C=C/C=C\C=C/C=C\C(C(OC1=O)C)C)O)C)O)O)O)O)O
Structure:
CAS RN: 141443-39-2
CAS Name: (17Z,19Z,21Z,23Z,25Z)-4,6,10,12,14,16-hexahydroxy-3,15,27,28-tetramethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
OPENEYE Name: (17Z,19Z,21Z,23Z,25Z)-4,6,10,12,14,16-hexahydroxy-3,15,27,28-tetramethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
IUPAC Name: (17Z,19Z,21Z,23Z,25Z)-4,6,10,12,14,16-hexahydroxy-3,15,27,28-tetramethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
SYSTEMATIC NAME: (17Z,19Z,21Z,23Z,25Z)-3,15,27,28-tetramethyl-4,6,10,12,14,16-hexakis(oxidanyl)-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
MOLECULAR FORMULA: C31H50O8
MOLECULAR WEIGHT: 550.7239
SMILES: CC1/C=C\C=C/C=C\C=C/C=C\C(C(C(CC(CC(CCCC(CC(C(C(=O)OC1C)C)O)O)O)O)O)C)O
Structure:
CAS RN: 140939-04-4
CAS Name: (E)-N-[2-[[2-[[(2S)-1-[[(2S)-1-[(2-amino-1-oxobutyl)-(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-(1-hydroxy-4-methylpentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-4-decenamide
OPENEYE Name: (E)-N-[2-[[2-[[(1S)-1-[[(1S)-1-[(2-aminoacetyl)-(2-aminobutanoyl)carbamoyl]-3-methyl-butyl]-[1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]dec-4-enamide
IUPAC Name: (E)-N-[2-[[2-[[(2S)-1-[[(2S)-1-[(2-aminoacetyl)-(2-aminobutanoyl)amino]-4-methyl-1-oxopentan-2-yl]-(1-hydroxy-4-methylpentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]dec-4-enamide
SYSTEMATIC NAME: (E)-N-[2-[[2-[[(2S)-1-[[(2S)-1-[2-azanylbutanoyl(2-azanylethanoyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(4-methyl-1-oxidanyl-pentan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]dec-4-ena
MOLECULAR FORMULA: C38H69N7O8
MOLECULAR WEIGHT: 751.99656
SMILES: CCCCC/C=C/CCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N([C@@H](CC(C)C)C(=O)N(C(=O)CN)C(=O)C(CC)N)C(CC(C)C)CO
Structure:
CAS RN: 139062-79-6
CAS Name: (E)-2-butenedioic acid; N-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-N-methylcarbamic acid 2-methylpropyl ester
OPENEYE Name: fumaric acid; isobutyl N-(1-indan-2-yl-4-piperidyl)-N-methyl-carbamate
IUPAC Name: (E)-but-2-enedioic acid; 2-methylpropyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-methylpropyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methyl-carbamate
MOLECULAR FORMULA: C24H34N2O6
MOLECULAR WEIGHT: 446.53656
SMILES: CC(C)COC(=O)N(C)C1CCN(CC1)C2CC3=CC=CC=C3C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 137460-77-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H34O8
MOLECULAR WEIGHT: 630.68246
SMILES: CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=C2C(=CC(=C5)/C=C/C6=C(C=C(C=C6)O)O)O)C7=C8C(=C(C=C7)O)C=CC(O8)(C)C
Structure:
CAS RN: 118230-77-6
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C22H30O14
MOLECULAR WEIGHT: 518.4652
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O
Structure:
CAS RN: 97987-90-1
CAS Name: 2-hydroxy-3-[(E)-9-methoxytridec-10-en-6-yl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-hydroxy-3-[(E)-4-methoxy-1-pentyl-oct-5-enyl]-1,4-benzoquinone
IUPAC Name: 2-hydroxy-3-[(E)-9-methoxytridec-10-en-6-yl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[(E)-9-methoxytridec-10-en-6-yl]-3-oxidanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCCC(CCC(/C=C/CC)OC)C1=C(C(=O)C=CC1=O)O
Structure:
CAS RN: 97987-89-8
CAS Name: 2-[(E)-14-methoxypentadec-9-en-6-yl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-[(E)-9-methoxy-1-pentyl-dec-4-enyl]-1,4-benzoquinone
IUPAC Name: 2-[(E)-14-methoxypentadec-9-en-6-yl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[(E)-14-methoxypentadec-9-en-6-yl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C22H34O3
MOLECULAR WEIGHT: 346.50356
SMILES: CCCCCC(CC/C=C/CCCC(C)OC)C1=CC(=O)C=CC1=O
Structure:
CAS RN: 97413-40-6
CAS Name: (E)-10-heptadecen-2-one
OPENEYE Name: (E)-heptadec-10-en-2-one
IUPAC Name: (E)-heptadec-10-en-2-one
SYSTEMATIC NAME: (E)-heptadec-10-en-2-one
MOLECULAR FORMULA: C17H32O
MOLECULAR WEIGHT: 252.43538
SMILES: CCCCCC/C=C/CCCCCCCC(=O)C
Structure:
CAS RN: 94664-48-9
CAS Name: (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(Z,2S)-2-amino-1,5-dioxopent-3-enyl]amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]am
OPENEYE Name: (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(Z,2S)-2-amino-5-oxo-pent-3-enoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]-N
IUPAC Name: (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(Z,2S)-2-amino-5-oxopent-3-enoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amin
SYSTEMATIC NAME: (2S)-1-[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(Z,2S)-2-azanyl-5-oxidanylidene-pent-3-enoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]
MOLECULAR FORMULA: C57H80N18O11
MOLECULAR WEIGHT: 1193.3591
SMILES: CC(C)[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5C=NC=N5)NC(=O)[C@H](/C=C\C=O)N
Structure:
CAS RN: 93772-08-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: C/C=C\1/CN2CCC34C5=CC=CC=C5N=C[C@]3([C@H]1C[C@H]2C4=O)C(=O)OC
Structure:
CAS RN: 92662-82-3
CAS Name: (2S)-3-methyl-2-[[oxo-[(2S)-1-[(2S)-1-oxo-2-[[(2S)-1-oxo-2-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]amino]propyl]-2-pyrrolidinyl]methyl]amino]butanoic acid
OPENEYE Name: (2S)-3-methyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]butanoic acid
IUPAC Name: (2S)-3-methyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]butanoic acid
SYSTEMATIC NAME: (2S)-3-methyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]butanoic acid
MOLECULAR FORMULA: C34H60N4O6
MOLECULAR WEIGHT: 620.8634
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O
Structure:
CAS RN: 88579-28-6
CAS Name: 4-[(E)-2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)prop-1-enyl]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[(E)-2-(4,4-dimethylchroman-6-yl)prop-1-enyl]benzoate
IUPAC Name: ethyl 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoate
SYSTEMATIC NAME: ethyl 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoate
MOLECULAR FORMULA: C23H26O3
MOLECULAR WEIGHT: 350.45074
SMILES: CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)OCCC3(C)C
Structure:
CAS RN: 88463-10-9
CAS Name: (E)-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenyl-2-propenoic acid
OPENEYE Name: (E)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-prop-2-enoic acid
IUPAC Name: (E)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]prop-2-enoic acid
MOLECULAR FORMULA: C26H24N2O5
MOLECULAR WEIGHT: 444.47916
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)O)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 87687-12-5
CAS Name: (E)-7,11-dichloro-7,11-dimethyl-2-dodecenoic acid ethyl ester
OPENEYE Name: ethyl (E)-7,11-dichloro-7,11-dimethyl-dodec-2-enoate
IUPAC Name: ethyl (E)-7,11-dichloro-7,11-dimethyldodec-2-enoate
SYSTEMATIC NAME: ethyl (E)-7,11-bis(chloranyl)-7,11-dimethyl-dodec-2-enoate
MOLECULAR FORMULA: C16H28Cl2O2
MOLECULAR WEIGHT: 323.29832
SMILES: CCOC(=O)/C=C/CCCC(C)(CCCC(C)(C)Cl)Cl
Structure:
CAS RN: 79329-87-6
CAS Name: N,N-dimethyl-3-(2-pyridinyl)-1-propanamine; (E)-4-oxo-4-phenoxy-2-butenoic acid; 3-pyridinecarboxylic acid; 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
OPENEYE Name: N,N-dimethyl-3-(2-pyridyl)propan-1-amine; nicotinic acid; (E)-4-oxo-4-phenoxy-but-2-enoic acid; 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
IUPAC Name: N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; (E)-4-oxo-4-phenoxybut-2-enoic acid; pyridine-3-carboxylic acid; 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
SYSTEMATIC NAME: N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; (E)-4-oxidanylidene-4-phenoxy-but-2-enoic acid; pyridine-3-carboxylic acid; 6,7,8,9-tetrahydro-5H-[1,2,3,4]tetrazolo[1,5-a]azepine
MOLECULAR FORMULA: C32H39N7O6
MOLECULAR WEIGHT: 617.69536
SMILES: CN(C)CCCC1=CC=CC=N1.C1CCC2=NN=NN2CC1.C1=CC=C(C=C1)OC(=O)/C=C/C(=O)O.C1=CC(=CN=C1)C(=O)O
Structure:
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