SQ 28504

(2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid

Also Known As: SQ 28504|(2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-oxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-amino-|(2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohe|(2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid

Molecular Formula	C35H61N7O22S
Molecular Weight	963.359 g/mol
LogP	-9.1257
Topological Polar Surface Area	462.98 Ų
Hydrogen Bond Donors	16
Hydrogen Bond Acceptors	22
Rotatable Bonds	24
Exact Mass	963.359
Monoisotopic Mass	963.359
Heavy Atoms	65
Complexity	1735.2699

Chemical Identifiers

CAS Number	96827-99-5
SMILES	C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C[C@H](C(N1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)OS(=O)(=O)O)O)NC(=O)C)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)NC(=O)C