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2-[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[[(2S)-2-acetamido-4-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-4-[[(2R,3R,4R,5S,6R)-

Systemtic Name:	2-[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[[(2S)-2-acetamido-4-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-4-[[(2R,3R,4R,5S,6R)-
Openeye Name:	2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[[(2S)-2-acetamido-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]-4-oxo-butanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-[[(2R,3R,4R,5S,6R)-3-
CAS Name:	2-[[2-[[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(2S)-2-acetamido-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]
IUPAC Name:	2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[[(2S)-2-acetamido-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]-4-oxobutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(h
Traditional Name:	2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[[(2S)-2-acetamido-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]-4-keto-butanoyl]amino]acetyl]prolyl]prolyl]prolyl]prolyl]prolyl]prolyl]prolyl]prolyl]amino]-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]-4-keto-b
Formula:	C₈₄H₁₂₇N₁₇O₃₇
MolecularWeight:	1966.99888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)NCC(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N6CCCC6C(=O)N7CCCC7C(=O)N8CCCC8C(=O)N9CCCC9C(=O)NC(CC(=O)NC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)NC(=O)C)C(=O)NCC(=O)NCC(=O)O)NC(=O)C)CO)OC1C(C(C(C(O1)CO)O)O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N7CCC[C@H]7C(=O)N8CCC[C@H]8C(=O)N9CCC[C@H]9C(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)C(=O)NCC(=O)NCC(=O)O)NC(=O)C)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O

InChI

InChI=1S/C84H127N17O37/c1-37(106)88-40(28-54(109)92-74-59(89-38(2)107)63(117)69(52(35-104)133-74)137-83-67(121)65(119)61(115)50(33-102)135-83)71(123)87-31-57(112)94-20-5-13-43(94)76(126)96-22-7-15-45(96)78(128)98-24-9-17-47(98)80(130)100-26-11-19-49(100)82(132)101-27-10-18-48(101)81(131)99-25-8-16-46(99)79(129)97-23-6-14-44(97)77(127)95-21-4-12-42(95)73(125)91-41(72(124)86-30-56(111)85-32-58(113)114)29-55(110)93-75-60(90-39(3)108)64(118)70(53(36-105)134-75)138-84-68(122)66(120)62(116)51(34-103)136-84/h40-53,59-70,74-75,83-84,102-105,115-122H,4-36H2,1-3H3,(H,85,111)(H,86,124)(H,87,123)(H,88,106)(H,89,107)(H,90,108)(H,91,125)(H,92,109)(H,93,110)(H,113,114)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,53+,59+,60+,61-,62-,63+,64+,65-,66-,67+,68+,69+,70+,74+,75+,83-,84-/m0/s1

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