2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5-oxidanyl-oxan-2-yl]oxy-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]pyrrolidin-2-y

Systemtic Name: 2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5-oxidanyl-oxan-2-yl]oxy-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]pyrrolidin-2-y Openeye Name: 2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-tetrahydropyran-2-yl]oxy-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butan CAS Name: 2-[[(2S,3R)-2-[[[(2S)-1-[(2S,3R)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-3-[[(2S,3R,4R,5S,6R)-3-acetamido-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-5-hydroxy-2-oxanyl]oxy]-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrr IUPAC Name: 2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hyd Traditional Name: 2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-tetrahydropyran-2-yl]oxy-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-3-hydroxy- Formula: C65H109N13O32 MolecularWeight: 1584.62886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)NC(=O)C)O)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)NC(=O)C)NC(=O)C(C(C)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)NC(=O)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)O)N)O

InChI

InChI=1S/C65H109N13O32/c1-22(2)39(58(100)75-43(27(7)85)62(104)78-17-13-15-33(78)55(97)74-42(26(6)84)61(103)77-16-12-14-32(77)54(96)72-40(24(4)82)57(99)67-18-37(89)90)71-59(101)41(25(5)83)73-60(102)44(76-56(98)38(66)23(3)81)28(8)106-65-47(70-31(11)88)53(110-64-46(69-30(10)87)52(95)49(92)35(20-80)108-64)50(93)36(109-65)21-105-63-45(68-29(9)86)51(94)48(91)34(19-79)107-63/h22-28,32-36,38-53,63-65,79-85,91-95H,12-21,66H2,1-11H3,(H,67,99)(H,68,86)(H,69,87)(H,70,88)(H,71,101)(H,72,96)(H,73,102)(H,74,97)(H,75,100)(H,76,98)(H,89,90)/t23-,24-,25-,26-,27-,28-,32+,33+,34-,35-,36-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,63-,64+,65+/m1/s1