6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid

C238H251N19O48S2Si — CID 157489579

IUPAC6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid
SMILESCCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)CCC(=O)Oc3cc(C(=O)O)cc(C(=O)O)c3)ccc21.CCn1c2ccccc2c2cc(/C=C(\C(=O)CCCCCCCCCCCC(=O)O)C(=O)NCCCCCCCCCCC(=O)O)ccc21.CO[Si](OC)(OC)c1ccc(CC(=O)CCCCCNC(=O)/C(C#N)=C/C=C/c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)cc1.N#C/C(=C\c1ccc(-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3oc2=O)s1)C(=O)CCC(=O)N(CCCC(CC(=O)O)C(=O)O)CC(=O)O.N#C/C(=C\c1ccc2c(c1)c1ccccc1n2-c1ccccc1)C(=O)N(CCCCCC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O.N#C/C(=C\c1ccc2c(c1)c1ccccc1n2CCCCCC(=O)O)C(=O)CCCCCCC(=O)O.[C-]#[N+]/C(=C\c1ccc(-c2cc3ccc(N(CC)CC)cc3oc2=O)s1)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C41H35N3O10S.C41H58N2O6.C37H43N3O7Si.C34H32N4O8.C29H22N2O7.C29H32N2O5.C27H29N3O5S/c42-24-28(34(45)16-18-37(46)43(25-39(49)50)19-7-8-27(40(51)52)22-38(47)48)20-32-15-17-36(55-32)33-21-26-13-14-31(23-35(26)54-41(33)53)44(29-9-3-1-4-10-29)30-11-5-2-6-12-30;1-2-43-36-23-20-19-22-33(36)34-30-32(27-28-37(34)43)31-35(38(44)24-16-12-8-4-3-5-9-13-17-25-39(45)46)41(49)42-29-21-15-11-7-6-10-14-18-26-40(47)48;1-44-48(45-2,46-3)32-17-15-26(16-18-32)22-31(41)13-5-4-6-19-39-36(42)29(25-38)11-7-10-28-24-30-23-27-12-8-20-40-21-9-14-33(34(27)40)35(30)47-37(28)43;35-19-24(34(46)36(16-8-2-5-13-31(40)41)20-30(39)37(21-32(42)43)22-33(44)45)17-23-14-15-29-27(18-23)26-11-6-7-12-28(26)38(29)25-9-3-1-4-10-25;1-2-31-24-6-4-3-5-22(24)23-12-17(7-8-25(23)31)11-20(16-30)26(32)9-10-27(33)38-21-14-18(28(34)35)13-19(15-21)29(36)37;30-20-22(27(32)12-4-1-2-5-13-28(33)34)18-21-15-16-26-24(19-21)23-10-7-8-11-25(23)31(26)17-9-3-6-14-29(35)36;1-4-30(5-2)19-11-10-18-15-21(27(34)35-23(18)16-19)24-13-12-20(36-24)17-22(28-3)26(33)29-14-8-6-7-9-25(31)32/h1-6,9-15,17,20-21,23,27H,7-8,16,18-19,22,25H2,(H,47,48)(H,49,50)(H,51,52);19-20,22-23,27-28,30-31H,2-18,21,24-26,29H2,1H3,(H,42,49)(H,45,46)(H,47,48);7,10-11,15-18,23-24H,4-6,8-9,12-14,19-22H2,1-3H3,(H,39,42);1,3-4,6-7,9-12,14-15,17-18H,2,5,8,13,16,20-22H2,(H,40,41)(H,42,43)(H,44,45);3-8,11-15H,2,9-10H2,1H3,(H,34,35)(H,36,37);7-8,10-11,15-16,18-19H,1-6,9,12-14,17H2,(H,33,34)(H,35,36);10-13,15-17H,4-9,14H2,1-2H3,(H,29,33)(H,31,32)/b28-20+;35-31+;10-7+,29-11+;24-17+;20-11+;22-18+;22-17-
InChIKeyBXCPISWONSFUIQ-ICOGJLPRSA-N
MW4237.93 g/mol
LogP42.46
Rot. Bonds111

About 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid

6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid (PubChem CID 157489579) has the molecular formula C238H251N19O48S2Si and a molecular weight of 4237.93 g/mol. Its IUPAC name is 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid
PubChem CID157489579
Molecular FormulaC238H251N19O48S2Si
Molecular Weight4237.93 g/mol
Exact Mass4234.70
IUPAC Name6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid
SMILESCCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)CCC(=O)Oc3cc(C(=O)O)cc(C(=O)O)c3)ccc21.CCn1c2ccccc2c2cc(/C=C(\C(=O)CCCCCCCCCCCC(=O)O)C(=O)NCCCCCCCCCCC(=O)O)ccc21.CO[Si](OC)(OC)c1ccc(CC(=O)CCCCCNC(=O)/C(C#N)=C/C=C/c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)cc1.N#C/C(=C\c1ccc(-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3oc2=O)s1)C(=O)CCC(=O)N(CCCC(CC(=O)O)C(=O)O)CC(=O)O.N#C/C(=C\c1ccc2c(c1)c1ccccc1n2-c1ccccc1)C(=O)N(CCCCCC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O.N#C/C(=C\c1ccc2c(c1)c1ccccc1n2CCCCCC(=O)O)C(=O)CCCCCCC(=O)O.[C-]#[N+]/C(=C\c1ccc(-c2cc3ccc(N(CC)CC)cc3oc2=O)s1)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C41H35N3O10S.C41H58N2O6.C37H43N3O7Si.C34H32N4O8.C29H22N2O7.C29H32N2O5.C27H29N3O5S/c42-24-28(34(45)16-18-37(46)43(25-39(49)50)19-7-8-27(40(51)52)22-38(47)48)20-32-15-17-36(55-32)33-21-26-13-14-31(23-35(26)54-41(33)53)44(29-9-3-1-4-10-29)30-11-5-2-6-12-30;1-2-43-36-23-20-19-22-33(36)34-30-32(27-28-37(34)43)31-35(38(44)24-16-12-8-4-3-5-9-13-17-25-39(45)46)41(49)42-29-21-15-11-7-6-10-14-18-26-40(47)48;1-44-48(45-2,46-3)32-17-15-26(16-18-32)22-31(41)13-5-4-6-19-39-36(42)29(25-38)11-7-10-28-24-30-23-27-12-8-20-40-21-9-14-33(34(27)40)35(30)47-37(28)43;35-19-24(34(46)36(16-8-2-5-13-31(40)41)20-30(39)37(21-32(42)43)22-33(44)45)17-23-14-15-29-27(18-23)26-11-6-7-12-28(26)38(29)25-9-3-1-4-10-25;1-2-31-24-6-4-3-5-22(24)23-12-17(7-8-25(23)31)11-20(16-30)26(32)9-10-27(33)38-21-14-18(28(34)35)13-19(15-21)29(36)37;30-20-22(27(32)12-4-1-2-5-13-28(33)34)18-21-15-16-26-24(19-21)23-10-7-8-11-25(23)31(26)17-9-3-6-14-29(35)36;1-4-30(5-2)19-11-10-18-15-21(27(34)35-23(18)16-19)24-13-12-20(36-24)17-22(28-3)26(33)29-14-8-6-7-9-25(31)32/h1-6,9-15,17,20-21,23,27H,7-8,16,18-19,22,25H2,(H,47,48)(H,49,50)(H,51,52);19-20,22-23,27-28,30-31H,2-18,21,24-26,29H2,1H3,(H,42,49)(H,45,46)(H,47,48);7,10-11,15-18,23-24H,4-6,8-9,12-14,19-22H2,1-3H3,(H,39,42);1,3-4,6-7,9-12,14-15,17-18H,2,5,8,13,16,20-22H2,(H,40,41)(H,42,43)(H,44,45);3-8,11-15H,2,9-10H2,1H3,(H,34,35)(H,36,37);7-8,10-11,15-16,18-19H,1-6,9,12-14,17H2,(H,33,34)(H,35,36);10-13,15-17H,4-9,14H2,1-2H3,(H,29,33)(H,31,32)/b28-20+;35-31+;10-7+,29-11+;24-17+;20-11+;22-18+;22-17-
InChIKeyBXCPISWONSFUIQ-ICOGJLPRSA-N
XLogP42.46
TPSA1015.85 Ų
H-Bond Donors16
H-Bond Acceptors49
Rotatable Bonds111
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004237.93
LogP ≤ 542.46
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1049

Analyze 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid with MolForge

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Related Compounds

11-[2-[(E)-2-anilinoethenyl]-3,3-dimethylindol-1-ium-1-yl]undecanoic acid;11-[(2E)-2-[(E)-3-[1-(10-carboxydecyl)-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]undecanoic acid;[3-[5-[5-[(Z)-2-cyano-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]carbazol-9-yl]methyl formate;6-[[5-(2,2-dicyanoethenyl)-2-(9-ethylcarbazol-3-yl)thiophene-3-carbonyl]amino]hexanoic acid;11-[3,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]indol-1-ium-1-yl]undecanoic acid;(Z)-5-isocyano-4-oxo-6-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-5-yl)thiophen-2-yl]-N-(4-triethoxysilylphenyl)hex-5-enamide;triiodide
CID 157414059
CID 157793114
CID 157793114
CID 158027929
CID 158027929
2-[carboxymethyl-[5-[[(E)-2-cyano-3-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]prop-2-enoyl]amino]pentyl]amino]acetic acid;2-[carboxymethyl-[(E)-9-cyano-10-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-8-oxodec-9-enoyl]amino]acetic acid;2-[carboxymethyl-[6-[[(Z)-3-[5-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-3-methylthiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoyl]amino]acetic acid;2-[carboxymethyl-[6-[[3-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-isocyanopropanoyl]amino]hexanoyl]amino]acetic acid
CID 158367104
2-[carboxymethyl-[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]prop-2-enoyl]amino]acetic acid;2-[carboxymethyl-[6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoyl]amino]acetic acid;4-[5-carboxypentyl-[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]prop-2-enoyl]amino]benzoic acid;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;3-[(2E)-3,3-dibenzyl-2-[(2Z,4E)-3-cyano-5-[3,3-dibenzyl-1-(2-carboxyethyl)-5-methoxyindol-1-ium-2-yl]penta-2,4-dienylidene]-5-methoxyindol-1-yl]propanoic acid;iodide
CID 159137215
2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile
CID 159335306
zinc;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]-N-(3-triethoxysilylpropyl)prop-2-enamide;N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide;N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)benzamide
CID 159335349
(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide
CID 159727469
(E)-2-cyano-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoic acid;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]amino]acetic acid;(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid;2-[(2E,5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
CID 160772062

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid (CID 157489579) is 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid is CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)CCC(=O)Oc3cc(C(=O)O)cc(C(=O)O)c3)ccc21.CCn1c2ccccc2c2cc(/C=C(\C(=O)CCCCCCCCCCCC(=O)O)C(=O)NCCCCCCCCCCC(=O)O)ccc21.CO[Si](OC)(OC)c1ccc(CC(=O)CCCCCNC(=O)/C(C#N)=C/C=C/c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)cc1.N#C/C(=C\c1ccc(-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3oc2=O)s1)C(=O)CCC(=O)N(CCCC(CC(=O)O)C(=O)O)CC(=O)O.N#C/C(=C\c1ccc2c(c1)c1ccccc1n2-c1ccccc1)C(=O)N(CCCCCC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O.N#C/C(=C\c1ccc2c(c1)c1ccccc1n2CCCCCC(=O)O)C(=O)CCCCCCC(=O)O.[C-]#[N+]/C(=C\c1ccc(-c2cc3ccc(N(CC)CC)cc3oc2=O)s1)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid?
The InChIKey is BXCPISWONSFUIQ-ICOGJLPRSA-N. The full InChI is InChI=1S/C41H35N3O10S.C41H58N2O6.C37H43N3O7Si.C34H32N4O8.C29H22N2O7.C29H32N2O5.C27H29N3O5S/c42-24-28(34(45)16-18-37(46)43(25-39(49)50)19-7-8-27(40(51)52)22-38(47)48)20-32-15-17-36(55-32)33-21-26-13-14-31(23-35(26)54-41(33)53)44(29-9-3-1-4-10-29)30-11-5-2-6-12-30;1-2-43-36-23-20-19-22-33(36)34-30-32(27-28-37(34)43)31-35(38(44)24-16-12-8-4-3-5-9-13-17-25-39(45)46)41(49)42-29-21-15-11-7-6-10-14-18-26-40(47)48;1-44-48(45-2,46-3)32-17-15-26(16-18-32)22-31(41)13-5-4-6-19-39-36(42)29(25-38)11-7-10-28-24-30-23-27-12-8-20-40-21-9-14-33(34(27)40)35(30)47-37(28)43;35-19-24(34(46)36(16-8-2-5-13-31(40)41)20-30(39)37(21-32(42)43)22-33(44)45)17-23-14-15-29-27(18-23)26-11-6-7-12-28(26)38(29)25-9-3-1-4-10-25;1-2-31-24-6-4-3-5-22(24)23-12-17(7-8-25(23)31)11-20(16-30)26(32)9-10-27(33)38-21-14-18(28(34)35)13-19(15-21)29(36)37;30-20-22(27(32)12-4-1-2-5-13-28(33)34)18-21-15-16-26-24(19-21)23-10-7-8-11-25(23)31(26)17-9-3-6-14-29(35)36;1-4-30(5-2)19-11-10-18-15-21(27(34)35-23(18)16-19)24-13-12-20(36-24)17-22(28-3)26(33)29-14-8-6-7-9-25(31)32/h1-6,9-15,17,20-21,23,27H,7-8,16,18-19,22,25H2,(H,47,48)(H,49,50)(H,51,52);19-20,22-23,27-28,30-31H,2-18,21,24-26,29H2,1H3,(H,42,49)(H,45,46)(H,47,48);7,10-11,15-18,23-24H,4-6,8-9,12-14,19-22H2,1-3H3,(H,39,42);1,3-4,6-7,9-12,14-15,17-18H,2,5,8,13,16,20-22H2,(H,40,41)(H,42,43)(H,44,45);3-8,11-15H,2,9-10H2,1H3,(H,34,35)(H,36,37);7-8,10-11,15-16,18-19H,1-6,9,12-14,17H2,(H,33,34)(H,35,36);10-13,15-17H,4-9,14H2,1-2H3,(H,29,33)(H,31,32)/b28-20+;35-31+;10-7+,29-11+;24-17+;20-11+;22-18+;22-17-.
What are the key properties of 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid?
6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid has a molecular weight of 4237.93 g/mol, XLogP of 42.46, 111 rotatable bonds, 16 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-[(E)-2-cyano-3-(9-phenylcarbazol-3-yl)prop-2-enoyl]amino]hexanoic acid;(E)-14-(10-carboxydecylcarbamoyl)-15-(9-ethylcarbazol-3-yl)-13-oxopentadec-14-enoic acid;2-[3-[carboxymethyl-[(E)-5-cyano-4-oxo-6-[5-[2-oxo-7-(N-phenylanilino)chromen-3-yl]thiophen-2-yl]hex-5-enoyl]amino]propyl]butanedioic acid;(E)-10-[9-(5-carboxypentyl)carbazol-3-yl]-9-cyano-8-oxodec-9-enoic acid;5-[(E)-5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxohex-5-enoyl]oxybenzene-1,3-dicarboxylic acid;(2E,4E)-2-cyano-5-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)-N-[6-oxo-7-(4-trimethoxysilylphenyl)heptyl]penta-2,4-dienamide;6-[[(Z)-3-[5-[7-(diethylamino)-2-oxochromen-3-yl]thiophen-2-yl]-2-isocyanoprop-2-enoyl]amino]hexanoic acid is sourced from PubChem (CID 157489579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).