(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide

C206H396N12O65 — CID 158468451

IUPAC(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide
SMILESCC(C)[C@H](NC(C)(C)C)C(=O)C[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)C(C)(C)C.COCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCNC(=O)CC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.CO[C@@H]1O[C@H](C(=O)NCCCCC(CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O.CO[C@@H]1O[C@H](CNC(=O)CC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C70H138N2O27.C30H58N2O7.C28H54N2O7.C27H50N2O8.C26H48N2O8.C25H48N2O8/c1-63(2)67(72-70(6,7)8)65(73)62-64(68(75)69(3,4)5)12-10-11-14-71-66(74)13-15-77-18-19-79-22-23-81-26-27-83-30-31-85-34-35-87-38-39-89-42-43-91-46-47-93-50-51-95-54-55-97-58-59-99-61-60-98-57-56-96-53-52-94-49-48-92-45-44-90-41-40-88-37-36-86-33-32-84-29-28-82-25-24-80-21-20-78-17-16-76-9;1-23(2)27(32-30(6,7)8)25(33)22-24(28(35)29(3,4)5)12-10-11-14-31-26(34)13-15-37-18-19-39-21-20-38-17-16-36-9;1-21(2)25(30-28(6,7)8)23(31)20-22(26(33)27(3,4)5)10-11-24(32)29-12-13-35-16-17-37-19-18-36-15-14-34-9;1-15(2)18(29-27(6,7)8)17(30)14-16(23(34)26(3,4)5)12-10-11-13-28-24(35)22-20(32)19(31)21(33)25(36-9)37-22;1-14(2)19(28-26(6,7)8)16(29)12-15(23(34)25(3,4)5)10-11-18(30)27-13-17-20(31)21(32)22(33)24(35-9)36-17;1-14(2)20(27-25(6,7)8)16(29)11-15(23(35)24(3,4)5)9-10-19(32)26-12-17(30)21(33)22(34)18(31)13-28/h63-64,67,72H,10-62H2,1-9H3,(H,71,74);23-24,27,32H,10-22H2,1-9H3,(H,31,34);21-22,25,30H,10-20H2,1-9H3,(H,29,32);15-16,18-22,25,29,31-33H,10-14H2,1-9H3,(H,28,35);14-15,17,19-22,24,28,31-33H,10-13H2,1-9H3,(H,27,30);14-15,17-18,20-22,27-28,30-31,33-34H,9-13H2,1-8H3,(H,26,32)/t64-,67+;24-,27+;22-,25+;16?,18-,19-,20-,21+,22-,25+;15-,17-,19+,20-,21+,22-,24-;15-,17+,18-,20+,21-,22-/m111011/s1
InChIKeyHGBAMQZVEJEPCE-PNJVDXPDSA-N
MW4081.45 g/mol
LogP13.63
Rot. Bonds167

About (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide

(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide (PubChem CID 158468451) has the molecular formula C206H396N12O65 and a molecular weight of 4081.45 g/mol. Its IUPAC name is (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide.

Molecular Properties

Compound Name(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide
PubChem CID158468451
Molecular FormulaC206H396N12O65
Molecular Weight4081.45 g/mol
Exact Mass4078.81
IUPAC Name(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide
SMILESCC(C)[C@H](NC(C)(C)C)C(=O)C[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)C(C)(C)C.COCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCNC(=O)CC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.CO[C@@H]1O[C@H](C(=O)NCCCCC(CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O.CO[C@@H]1O[C@H](CNC(=O)CC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C70H138N2O27.C30H58N2O7.C28H54N2O7.C27H50N2O8.C26H48N2O8.C25H48N2O8/c1-63(2)67(72-70(6,7)8)65(73)62-64(68(75)69(3,4)5)12-10-11-14-71-66(74)13-15-77-18-19-79-22-23-81-26-27-83-30-31-85-34-35-87-38-39-89-42-43-91-46-47-93-50-51-95-54-55-97-58-59-99-61-60-98-57-56-96-53-52-94-49-48-92-45-44-90-41-40-88-37-36-86-33-32-84-29-28-82-25-24-80-21-20-78-17-16-76-9;1-23(2)27(32-30(6,7)8)25(33)22-24(28(35)29(3,4)5)12-10-11-14-31-26(34)13-15-37-18-19-39-21-20-38-17-16-36-9;1-21(2)25(30-28(6,7)8)23(31)20-22(26(33)27(3,4)5)10-11-24(32)29-12-13-35-16-17-37-19-18-36-15-14-34-9;1-15(2)18(29-27(6,7)8)17(30)14-16(23(34)26(3,4)5)12-10-11-13-28-24(35)22-20(32)19(31)21(33)25(36-9)37-22;1-14(2)19(28-26(6,7)8)16(29)12-15(23(34)25(3,4)5)10-11-18(30)27-13-17-20(31)21(32)22(33)24(35-9)36-17;1-14(2)20(27-25(6,7)8)16(29)11-15(23(35)24(3,4)5)9-10-19(32)26-12-17(30)21(33)22(34)18(31)13-28/h63-64,67,72H,10-62H2,1-9H3,(H,71,74);23-24,27,32H,10-22H2,1-9H3,(H,31,34);21-22,25,30H,10-20H2,1-9H3,(H,29,32);15-16,18-22,25,29,31-33H,10-14H2,1-9H3,(H,28,35);14-15,17,19-22,24,28,31-33H,10-13H2,1-9H3,(H,27,30);14-15,17-18,20-22,27-28,30-31,33-34H,9-13H2,1-8H3,(H,26,32)/t64-,67+;24-,27+;22-,25+;16?,18-,19-,20-,21+,22-,25+;15-,17-,19+,20-,21+,22-,24-;15-,17+,18-,20+,21-,22-/m111011/s1
InChIKeyHGBAMQZVEJEPCE-PNJVDXPDSA-N
XLogP13.63
TPSA1006.43 Ų
H-Bond Donors23
H-Bond Acceptors71
Rotatable Bonds167
Heavy Atoms283
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004081.45
LogP ≤ 513.63
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1071

Analyze (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide?
The IUPAC name of (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide (CID 158468451) is (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide.
What is the SMILES notation for (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide?
The canonical SMILES for (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide is CC(C)[C@H](NC(C)(C)C)C(=O)C[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)C(C)(C)C.COCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCNC(=O)CC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C.CO[C@@H]1O[C@H](C(=O)NCCCCC(CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O.CO[C@@H]1O[C@H](CNC(=O)CC[C@H](CC(=O)[C@@H](NC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide?
The InChIKey is HGBAMQZVEJEPCE-PNJVDXPDSA-N. The full InChI is InChI=1S/C70H138N2O27.C30H58N2O7.C28H54N2O7.C27H50N2O8.C26H48N2O8.C25H48N2O8/c1-63(2)67(72-70(6,7)8)65(73)62-64(68(75)69(3,4)5)12-10-11-14-71-66(74)13-15-77-18-19-79-22-23-81-26-27-83-30-31-85-34-35-87-38-39-89-42-43-91-46-47-93-50-51-95-54-55-97-58-59-99-61-60-98-57-56-96-53-52-94-49-48-92-45-44-90-41-40-88-37-36-86-33-32-84-29-28-82-25-24-80-21-20-78-17-16-76-9;1-23(2)27(32-30(6,7)8)25(33)22-24(28(35)29(3,4)5)12-10-11-14-31-26(34)13-15-37-18-19-39-21-20-38-17-16-36-9;1-21(2)25(30-28(6,7)8)23(31)20-22(26(33)27(3,4)5)10-11-24(32)29-12-13-35-16-17-37-19-18-36-15-14-34-9;1-15(2)18(29-27(6,7)8)17(30)14-16(23(34)26(3,4)5)12-10-11-13-28-24(35)22-20(32)19(31)21(33)25(36-9)37-22;1-14(2)19(28-26(6,7)8)16(29)12-15(23(34)25(3,4)5)10-11-18(30)27-13-17-20(31)21(32)22(33)24(35-9)36-17;1-14(2)20(27-25(6,7)8)16(29)11-15(23(35)24(3,4)5)9-10-19(32)26-12-17(30)21(33)22(34)18(31)13-28/h63-64,67,72H,10-62H2,1-9H3,(H,71,74);23-24,27,32H,10-22H2,1-9H3,(H,31,34);21-22,25,30H,10-20H2,1-9H3,(H,29,32);15-16,18-22,25,29,31-33H,10-14H2,1-9H3,(H,28,35);14-15,17,19-22,24,28,31-33H,10-13H2,1-9H3,(H,27,30);14-15,17-18,20-22,27-28,30-31,33-34H,9-13H2,1-8H3,(H,26,32)/t64-,67+;24-,27+;22-,25+;16?,18-,19-,20-,21+,22-,25+;15-,17-,19+,20-,21+,22-,24-;15-,17+,18-,20+,21-,22-/m111011/s1.
What are the key properties of (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide?
(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide has a molecular weight of 4081.45 g/mol, XLogP of 13.63, 167 rotatable bonds, 23 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide is sourced from PubChem (CID 158468451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).