(4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide

C171H326N12O64 — CID 158103952

IUPAC(4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
SMILESCN[C@H](C(=O)C[C@@H](CCC(=O)NCCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCC(=O)NC[C@H]1O[C@@H](OC)[C@H](O)[C@@H](C)[C@@H]1O)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)[C@H]1O[C@@H](OC)[C@H](O)[C@@H](O)[C@@H]1O)C(C)=O)C(C)C
InChIInChI=1S/C64H126N2O27.C24H46N2O7.C22H42N2O7.C21H38N2O8.C21H38N2O7.C19H36N2O8/c1-59(2)64(65-4)62(68)58-61(60(3)67)8-6-7-10-66-63(69)9-11-71-14-15-73-18-19-75-22-23-77-26-27-79-30-31-81-34-35-83-38-39-85-42-43-87-46-47-89-50-51-91-54-55-93-57-56-92-53-52-90-49-48-88-45-44-86-41-40-84-37-36-82-33-32-80-29-28-78-25-24-76-21-20-74-17-16-72-13-12-70-5;1-19(2)24(25-4)22(28)18-21(20(3)27)8-6-7-10-26-23(29)9-11-31-14-15-33-17-16-32-13-12-30-5;1-17(2)22(23-4)20(26)16-19(18(3)25)6-7-21(27)24-8-9-29-12-13-31-15-14-30-11-10-28-5;1-11(2)15(22-4)14(25)10-13(12(3)24)8-6-7-9-23-20(29)19-17(27)16(26)18(28)21(30-5)31-19;1-11(2)18(22-5)15(25)9-14(13(4)24)7-8-17(26)23-10-16-19(27)12(3)20(28)21(29-6)30-16;1-10(2)17(20-4)13(24)7-12(11(3)23)5-6-16(27)21-8-14(25)18(28)19(29)15(26)9-22/h59,61,64-65H,6-58H2,1-5H3,(H,66,69);19,21,24-25H,6-18H2,1-5H3,(H,26,29);17,19,22-23H,6-16H2,1-5H3,(H,24,27);11,13,15-19,21-22,26-28H,6-10H2,1-5H3,(H,23,29);11-12,14,16,18-22,27-28H,7-10H2,1-6H3,(H,23,26);10,12,14-15,17-20,22,25-26,28-29H,5-9H2,1-4H3,(H,21,27)/t61-,64+;21-,24+;19-,22+;13-,15+,16+,17+,18-,19+,21-;12-,14+,16+,18-,19-,20+,21+;12-,14+,15-,17+,18-,19-/m111101/s1
InChIKeyFPPKFZONRLRVNV-SLDGRCDRSA-N
MW3574.51 g/mol
LogP1.74
Rot. Bonds167

About (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide

(4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide (PubChem CID 158103952) has the molecular formula C171H326N12O64 and a molecular weight of 3574.51 g/mol. Its IUPAC name is (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide.

Molecular Properties

Compound Name(4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
PubChem CID158103952
Molecular FormulaC171H326N12O64
Molecular Weight3574.51 g/mol
Exact Mass3572.26
IUPAC Name(4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
SMILESCN[C@H](C(=O)C[C@@H](CCC(=O)NCCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCC(=O)NC[C@H]1O[C@@H](OC)[C@H](O)[C@@H](C)[C@@H]1O)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)[C@H]1O[C@@H](OC)[C@H](O)[C@@H](O)[C@@H]1O)C(C)=O)C(C)C
InChIInChI=1S/C64H126N2O27.C24H46N2O7.C22H42N2O7.C21H38N2O8.C21H38N2O7.C19H36N2O8/c1-59(2)64(65-4)62(68)58-61(60(3)67)8-6-7-10-66-63(69)9-11-71-14-15-73-18-19-75-22-23-77-26-27-79-30-31-81-34-35-83-38-39-85-42-43-87-46-47-89-50-51-91-54-55-93-57-56-92-53-52-90-49-48-88-45-44-86-41-40-84-37-36-82-33-32-80-29-28-78-25-24-76-21-20-74-17-16-72-13-12-70-5;1-19(2)24(25-4)22(28)18-21(20(3)27)8-6-7-10-26-23(29)9-11-31-14-15-33-17-16-32-13-12-30-5;1-17(2)22(23-4)20(26)16-19(18(3)25)6-7-21(27)24-8-9-29-12-13-31-15-14-30-11-10-28-5;1-11(2)15(22-4)14(25)10-13(12(3)24)8-6-7-9-23-20(29)19-17(27)16(26)18(28)21(30-5)31-19;1-11(2)18(22-5)15(25)9-14(13(4)24)7-8-17(26)23-10-16-19(27)12(3)20(28)21(29-6)30-16;1-10(2)17(20-4)13(24)7-12(11(3)23)5-6-16(27)21-8-14(25)18(28)19(29)15(26)9-22/h59,61,64-65H,6-58H2,1-5H3,(H,66,69);19,21,24-25H,6-18H2,1-5H3,(H,26,29);17,19,22-23H,6-16H2,1-5H3,(H,24,27);11,13,15-19,21-22,26-28H,6-10H2,1-5H3,(H,23,29);11-12,14,16,18-22,27-28H,7-10H2,1-6H3,(H,23,26);10,12,14-15,17-20,22,25-26,28-29H,5-9H2,1-4H3,(H,21,27)/t61-,64+;21-,24+;19-,22+;13-,15+,16+,17+,18-,19+,21-;12-,14+,16+,18-,19-,20+,21+;12-,14+,15-,17+,18-,19-/m111101/s1
InChIKeyFPPKFZONRLRVNV-SLDGRCDRSA-N
XLogP1.74
TPSA986.20 Ų
H-Bond Donors22
H-Bond Acceptors70
Rotatable Bonds167
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003574.51
LogP ≤ 51.74
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide with MolForge

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Launch Full Analysis

Related Compounds

(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
sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide
CID 159463286
2-[[4-[[3-[[(6R)-6-acetyl-2-methyl-4,9-dioxo-9-[[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methylamino]nonan-3-yl]amino]-3-oxopropyl]-propylamino]-4-oxobutanoyl]amino]ethanesulfonic acid
CID 158746524
N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide
CID 159061044
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide
CID 175634239
(4S)-4-[[(2S)-3-methyl-2-(pentanoylamino)butanoyl]amino]-5-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]hexanamide
CID 146393868
N-[(3S,6R)-6-acetyl-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide
CID 144656165
5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide
CID 167299426
(2S,3S,4S,5R,6S)-6-[2-[[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-(methylamino)propanoyl]amino]-4-(hydroxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 175634536
N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide
CID 11708716
2-[3-[2-(tert-butylamino)ethoxy]propanoylamino]-N,N'-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 166658177
N,N'-bis[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-4-[3-(2-methoxyethoxy)propanoylamino]-5-oxopentanoyl]amino]pentanediamide
CID 130398387

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide?
The IUPAC name of (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide (CID 158103952) is (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide.
What is the SMILES notation for (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide?
The canonical SMILES for (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide is CN[C@H](C(=O)C[C@@H](CCC(=O)NCCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCC(=O)NC[C@H]1O[C@@H](OC)[C@H](O)[C@@H](C)[C@@H]1O)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)=O)C(C)C.CN[C@H](C(=O)C[C@@H](CCCCNC(=O)[C@H]1O[C@@H](OC)[C@H](O)[C@@H](O)[C@@H]1O)C(C)=O)C(C)C.
What is the InChIKey of (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide?
The InChIKey is FPPKFZONRLRVNV-SLDGRCDRSA-N. The full InChI is InChI=1S/C64H126N2O27.C24H46N2O7.C22H42N2O7.C21H38N2O8.C21H38N2O7.C19H36N2O8/c1-59(2)64(65-4)62(68)58-61(60(3)67)8-6-7-10-66-63(69)9-11-71-14-15-73-18-19-75-22-23-77-26-27-79-30-31-81-34-35-83-38-39-85-42-43-87-46-47-89-50-51-91-54-55-93-57-56-92-53-52-90-49-48-88-45-44-86-41-40-84-37-36-82-33-32-80-29-28-78-25-24-76-21-20-74-17-16-72-13-12-70-5;1-19(2)24(25-4)22(28)18-21(20(3)27)8-6-7-10-26-23(29)9-11-31-14-15-33-17-16-32-13-12-30-5;1-17(2)22(23-4)20(26)16-19(18(3)25)6-7-21(27)24-8-9-29-12-13-31-15-14-30-11-10-28-5;1-11(2)15(22-4)14(25)10-13(12(3)24)8-6-7-9-23-20(29)19-17(27)16(26)18(28)21(30-5)31-19;1-11(2)18(22-5)15(25)9-14(13(4)24)7-8-17(26)23-10-16-19(27)12(3)20(28)21(29-6)30-16;1-10(2)17(20-4)13(24)7-12(11(3)23)5-6-16(27)21-8-14(25)18(28)19(29)15(26)9-22/h59,61,64-65H,6-58H2,1-5H3,(H,66,69);19,21,24-25H,6-18H2,1-5H3,(H,26,29);17,19,22-23H,6-16H2,1-5H3,(H,24,27);11,13,15-19,21-22,26-28H,6-10H2,1-5H3,(H,23,29);11-12,14,16,18-22,27-28H,7-10H2,1-6H3,(H,23,26);10,12,14-15,17-20,22,25-26,28-29H,5-9H2,1-4H3,(H,21,27)/t61-,64+;21-,24+;19-,22+;13-,15+,16+,17+,18-,19+,21-;12-,14+,16+,18-,19-,20+,21+;12-,14+,15-,17+,18-,19-/m111101/s1.
What are the key properties of (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide?
(4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide has a molecular weight of 3574.51 g/mol, XLogP of 1.74, 167 rotatable bonds, 22 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-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)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide is sourced from PubChem (CID 158103952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).