[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-[2-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]ethanoyl]amino]ethyl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-[2-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]ethanoyl]amino]ethyl]oxan-2-yl]methyl ethanoate Openeye Name: [(2S,3S,4S,5S,6S)-3,4,5-triacetoxy-6-[2-[[(1S)-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-[2-[(2R,3S,4R,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]acetyl]amino]ethyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-[1-oxo-2-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]ethyl]amino]ethyl]-2-oxanyl]methyl ester IUPAC Name: [(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-[2-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetyl]amino]ethyl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3S,4S,5S,6S)-3,4,5-triacetoxy-6-[2-[[(1S)-1-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]-[2-[(2R,3S,4R,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]acetyl]amino]ethyl]tetrahydropyran-2-yl]methyl ester Formula: C41H61N3O21 MolecularWeight: 931.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)N)N(CCC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)CC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)N(CC[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C41H61N3O21/c1-18(2)14-28(41(55)43-19(3)40(42)54)44(13-12-29-34(58-22(6)47)38(62-26(10)51)36(60-24(8)49)31(64-29)16-56-20(4)45)33(53)15-30-35(59-23(7)48)39(63-27(11)52)37(61-25(9)50)32(65-30)17-57-21(5)46/h18-19,28-32,34-39H,12-17H2,1-11H3,(H2,42,54)(H,43,55)/t19-,28-,29-,30+,31-,32+,34-,35-,36-,37+,38-,39+/m0/s1