3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide

C101H185N9O61S3 — CID 167656106

IUPAC3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide
SMILESCC(=O)[C@H](CCCCN)NNC(=O)CCCCCNS(=O)(=O)CCC(=O)NCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CC(C)CC(=O)CCCCCNS(=O)(=O)CCC(=O)CCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CCNC(=O)CCCCCNS(=O)(=O)CCC(=O)NCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C36H67N5O21S.C34H61NO20S.C31H57N3O20S/c1-18(44)19(7-4-5-10-37)40-41-24(46)8-3-2-6-11-39-63(55,56)14-9-23(45)38-12-13-57-35-32(54)33(62-36-31(53)29(51)26(48)21(16-43)60-36)27(49)22(61-35)17-58-34-30(52)28(50)25(47)20(15-42)59-34;1-17(2)13-19(39)7-4-3-5-10-35-56(48,49)12-9-18(38)8-6-11-50-33-30(47)31(55-34-29(46)27(44)24(41)21(15-37)53-34)25(42)22(54-33)16-51-32-28(45)26(43)23(40)20(14-36)52-32;1-2-32-18(37)6-4-3-5-8-34-55(47,48)11-7-19(38)33-9-10-49-30-27(46)28(54-31-26(45)24(43)21(40)16(13-36)52-31)22(41)17(53-30)14-50-29-25(44)23(42)20(39)15(12-35)51-29/h19-22,25-36,39-40,42-43,47-54H,2-17,37H2,1H3,(H,38,45)(H,41,46);17,20-37,40-47H,3-16H2,1-2H3;15-17,20-31,34-36,39-46H,2-14H2,1H3,(H,32,37)(H,33,38)/t19-,20+,21+,22+,25+,26+,27+,28-,29-,30-,31-,32-,33-,34-,35+,36+;20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33-,34-;15-,16-,17-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-/m011/s1
InChIKeyRGWXWPFTCKOTSR-MWSUKBRISA-N
MW2597.79 g/mol
LogP-20.00
Rot. Bonds74

About 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide

3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide (PubChem CID 167656106) has the molecular formula C101H185N9O61S3 and a molecular weight of 2597.79 g/mol. Its IUPAC name is 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide.

Molecular Properties

Compound Name3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide
PubChem CID167656106
Molecular FormulaC101H185N9O61S3
Molecular Weight2597.79 g/mol
Exact Mass2596.08
IUPAC Name3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide
SMILESCC(=O)[C@H](CCCCN)NNC(=O)CCCCCNS(=O)(=O)CCC(=O)NCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CC(C)CC(=O)CCCCCNS(=O)(=O)CCC(=O)CCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CCNC(=O)CCCCCNS(=O)(=O)CCC(=O)NCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C36H67N5O21S.C34H61NO20S.C31H57N3O20S/c1-18(44)19(7-4-5-10-37)40-41-24(46)8-3-2-6-11-39-63(55,56)14-9-23(45)38-12-13-57-35-32(54)33(62-36-31(53)29(51)26(48)21(16-43)60-36)27(49)22(61-35)17-58-34-30(52)28(50)25(47)20(15-42)59-34;1-17(2)13-19(39)7-4-3-5-10-35-56(48,49)12-9-18(38)8-6-11-50-33-30(47)31(55-34-29(46)27(44)24(41)21(15-37)53-34)25(42)22(54-33)16-51-32-28(45)26(43)23(40)20(14-36)52-32;1-2-32-18(37)6-4-3-5-8-34-55(47,48)11-7-19(38)33-9-10-49-30-27(46)28(54-31-26(45)24(43)21(40)16(13-36)52-31)22(41)17(53-30)14-50-29-25(44)23(42)20(39)15(12-35)51-29/h19-22,25-36,39-40,42-43,47-54H,2-17,37H2,1H3,(H,38,45)(H,41,46);17,20-37,40-47H,3-16H2,1-2H3;15-17,20-31,34-36,39-46H,2-14H2,1H3,(H,32,37)(H,33,38)/t19-,20+,21+,22+,25+,26+,27+,28-,29-,30-,31-,32-,33-,34-,35+,36+;20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33-,34-;15-,16-,17-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-/m011/s1
InChIKeyRGWXWPFTCKOTSR-MWSUKBRISA-N
XLogP-20.00
TPSA1117.21 Ų
H-Bond Donors39
H-Bond Acceptors63
Rotatable Bonds74
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002597.79
LogP ≤ 5-20.00
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

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

Analyze 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide
CID 167705209
4-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-4-oxobutanamide;N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-4-oxoheptanamide;7-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-4-oxoheptanamide
CID 167633445
7-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-7-oxoheptanamide
CID 164936267
6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide;N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxononanamide
CID 167670577
6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide
CID 164936239
3-[2-[3-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-3-oxopropoxy]ethoxy]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide
CID 164936202
6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-N-[3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxohexanamide
CID 164936292
13-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-10-oxotridecanamide
CID 167618124
9-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-6-oxononanamide
CID 167670517
6-[2-[(2S)-6-amino-1-oxohexan-2-yl]hydrazinyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-6-oxohexanamide
CID 164936277
10-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-6-oxodecanamide
CID 167579687
N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethyl]-6-oxononanamide;N'-[(2S)-1-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-1-oxo-6-[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexanoyl]amino]hexan-2-yl]-N-ethyloctanediamide;(2S)-N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-N'-ethyl-2-[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexanoyl]amino]octanediamide;N-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-6-oxononanamide
CID 159762508

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide?
The IUPAC name of 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide (CID 167656106) is 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide.
What is the SMILES notation for 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide?
The canonical SMILES for 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide is CC(=O)[C@H](CCCCN)NNC(=O)CCCCCNS(=O)(=O)CCC(=O)NCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CC(C)CC(=O)CCCCCNS(=O)(=O)CCC(=O)CCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CCNC(=O)CCCCCNS(=O)(=O)CCC(=O)NCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide?
The InChIKey is RGWXWPFTCKOTSR-MWSUKBRISA-N. The full InChI is InChI=1S/C36H67N5O21S.C34H61NO20S.C31H57N3O20S/c1-18(44)19(7-4-5-10-37)40-41-24(46)8-3-2-6-11-39-63(55,56)14-9-23(45)38-12-13-57-35-32(54)33(62-36-31(53)29(51)26(48)21(16-43)60-36)27(49)22(61-35)17-58-34-30(52)28(50)25(47)20(15-42)59-34;1-17(2)13-19(39)7-4-3-5-10-35-56(48,49)12-9-18(38)8-6-11-50-33-30(47)31(55-34-29(46)27(44)24(41)21(15-37)53-34)25(42)22(54-33)16-51-32-28(45)26(43)23(40)20(14-36)52-32;1-2-32-18(37)6-4-3-5-8-34-55(47,48)11-7-19(38)33-9-10-49-30-27(46)28(54-31-26(45)24(43)21(40)16(13-36)52-31)22(41)17(53-30)14-50-29-25(44)23(42)20(39)15(12-35)51-29/h19-22,25-36,39-40,42-43,47-54H,2-17,37H2,1H3,(H,38,45)(H,41,46);17,20-37,40-47H,3-16H2,1-2H3;15-17,20-31,34-36,39-46H,2-14H2,1H3,(H,32,37)(H,33,38)/t19-,20+,21+,22+,25+,26+,27+,28-,29-,30-,31-,32-,33-,34-,35+,36+;20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33-,34-;15-,16-,17-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-/m011/s1.
What are the key properties of 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide?
3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide has a molecular weight of 2597.79 g/mol, XLogP of -20.00, 74 rotatable bonds, 39 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]sulfamoyl]-N-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]propanamide;6-[[3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-3-oxopropyl]sulfonylamino]-N-ethylhexanamide;6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-(8-methyl-6-oxononyl)-3-oxohexane-1-sulfonamide is sourced from PubChem (CID 167656106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).