[(2R,3R,4S,5S,6R)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5S,6R)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5S,6R)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]amino]-3-oxo-propoxy]-hydroxy-phosphoryl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5S,6R)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-oxopropoxy]-hydroxyphosphoryl]oxy-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6R)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-oxopropoxy]-hydroxyphosphoryl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5S,6R)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-[[(1S)-2-amino-2-keto-1-methyl-ethyl]amino]-3-keto-propoxy]-hydroxy-phosphoryl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C28H44N5O20P MolecularWeight: 801.644221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C(COP(=O)(O)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)C

InChI

InChI=1S/C28H44N5O20P/c1-11(24(29)41)30-27(44)19(33-26(43)18(8-35)32-25(42)17(7-34)31-12(2)36)9-48-54(45,46)53-28-23(51-16(6)40)22(50-15(5)39)21(49-14(4)38)20(52-28)10-47-13(3)37/h11,17-23,28,34-35H,7-10H2,1-6H3,(H2,29,41)(H,30,44)(H,31,36)(H,32,42)(H,33,43)(H,45,46)/t11-,17-,18-,19-,20+,21+,22-,23-,28+/m0/s1