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N-(2-{2-[2-({[3-({3-acetamido-5-[(4-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)propyl]carbamoyl}methoxy)ethoxy]ethoxy}ethyl)-5-{2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl}pentanamide

N-(2-{2-[2-({[3-({3-acetamido-5-[(4-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)propyl]carbamoyl}methoxy)ethoxy]ethoxy}ethyl)-5-{2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl}pentanamide

Formula: C49H84N6O27S

SMILES: CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3NC(C)=O)C2O)C(CO)OC1OCCCNC(=O)COCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12

IUPAC: N-(2-{2-[2-({[3-({3-acetamido-5-[(4-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)propyl]carbamoyl}methoxy)ethoxy]ethoxy}ethyl)-5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamide

InChI: InChI=1/C49H84N6O27S/c1-22(60)52-33-37(66)42(81-48-41(70)44(36(65)26(17-57)77-48)82-46-34(53-23(2)61)38(67)43(28(19-59)79-46)80-47-40(69)39(68)35(64)25(16-56)76-47)27(18-58)78-45(33)75-10-5-8-50-31(63)20-74-15-14-73-13-12-72-11-9-51-30(62)7-4-3-6-29-32-24

Composition: C (48.19%), H (6.93%), N (6.88%), O (35.37%), S (2.63%)

Molar Mass: 1221.29

Atom Count: 167

Heavy Atom Count: 83

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 23
Exact Mass 1220.510512643
Formal Charge 0
FSP3 0.9
Hetero Ring Count 6
Hydrogen Bond Acceptor Count 27
Hydrogen Bond Donor Count 17
InChIKey PSKYCQZBJLZSSJ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 275.72
Topological Polar Surface Area 481.59
Polarizability 112.3
Ring Count 6
Rotatable Bond Count 33

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Purity LeadTime Formula UnitPrice
98% <14 Days C49H84N6O27S Quote Only