(4R)-4-[[(2S)-2-[[(2R)-2-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-propoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoyl]amino]propanoyl]amino]-5-[[(2S)-6-acetamido-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-[[(2S)-2-[[(2R)-2-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-propoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoyl]amino]propanoyl]amino]-5-[[(2S)-6-acetamido-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-[[(2S)-2-[[(2R)-2-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-propoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoyl]amino]propanoyl]amino]-5-[[(1S)-5-acetamido-1-[[(1R)-2-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: (4R)-4-[[(2S)-2-[[(2R)-2-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-propoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-[[(2S)-6-acetamido-1-[[(2R)-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4R)-4-[[(2S)-2-[[(2R)-2-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-propoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoyl]amino]propanoyl]amino]-5-[[(2S)-6-acetamido-1-[[(2R)-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4R)-4-[[(2S)-2-[[(2R)-2-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-propoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoyl]amino]propanoyl]amino]-5-[[(1S)-5-acetamido-1-[[(1R)-2-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C43H65N7O16 MolecularWeight: 936.0135

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCNC(=O)C)C(=O)NC(C)C(=O)NC(C)C(=O)O)NC(=O)C

Isomeric SMILES

CCCO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)NC(=O)C

InChI

InChI=1S/C43H65N7O16/c1-8-20-62-43-33(48-27(7)52)35(34-31(65-43)21-63-42(66-34)28-14-10-9-11-15-28)64-25(5)38(57)45-23(3)37(56)49-30(17-18-32(53)54)40(59)50-29(16-12-13-19-44-26(6)51)39(58)46-22(2)36(55)47-24(4)41(60)61/h9-11,14-15,22-25,29-31,33-35,42-43H,8,12-13,16-21H2,1-7H3,(H,44,51)(H,45,57)(H,46,58)(H,47,55)(H,48,52)(H,49,56)(H,50,59)(H,53,54)(H,60,61)/t22-,23+,24-,25-,29+,30-,31-,33-,34-,35-,42-,43+/m1/s1