[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propoxy]-3,4-diacetyloxy-oxan-

Systemtic Name: [(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propoxy]-3,4-diacetyloxy-oxan- Openeye Name: [(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-[[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-oxo-propoxy]-3,4-diacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropoxy]-3,4-diacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-[[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]amino]-3-keto-propoxy]-3,4-diacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C64H99N13O26 MolecularWeight: 1466.54236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)N)NC(=O)C(COC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)C

InChI

InChI=1S/C64H99N13O26/c1-28(2)20-39(54(89)71-44(25-81)59(94)75-48(29(3)4)53(65)88)69-60(95)45(26-100-64-50(68-33(9)83)52(102-36(12)86)51(101-35(11)85)47(103-64)27-99-34(10)84)74-58(93)42(23-79)72-57(92)43(24-80)73-62(97)49(30(5)6)76-61(96)46-14-13-19-77(46)63(98)31(7)66-56(91)41(22-78)70-55(90)40(67-32(8)82)21-37-15-17-38(87)18-16-37/h15-18,28-31,39-52,64,78-81,87H,13-14,19-27H2,1-12H3,(H2,65,88)(H,66,91)(H,67,82)(H,68,83)(H,69,95)(H,70,90)(H,71,89)(H,72,92)(H,73,97)(H,74,93)(H,75,94)(H,76,96)/t31-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50+,51+,52+,64+/m0/s1