[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[N'-(phenylmethyl)-N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[N'-(phenylmethyl)-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-oxan-2-yl]methyl]carbamimidoyl]amino]oxan-2-yl]methyl]carbamimidoyl]amino]oxan-2-yl]methyl ethanoate dihydrochloride

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[N'-(phenylmethyl)-N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[N'-(phenylmethyl)-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-oxan-2-yl]methyl]carbamimidoyl]amino]oxan-2-yl]methyl]carbamimidoyl]amino]oxan-2-yl]methyl ethanoate dihydrochloride Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[N'-benzyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[N'-benzyl-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxy-tetrahydropyran-2-yl]methyl]carbamimidoyl]amino]tetrahydropyran-2-yl]methyl]carbamimidoyl]amino]tetrahydropyran-2-yl]methyl acetate dihydrochloride CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(phenylmethyl)imino-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(phenylmethyl)imino-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-2-oxanyl]methylamino]methyl]amino]-2-oxanyl]methylamino]methyl]amino]-2-oxanyl]methyl ester dihydrochloride IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[N'-benzyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[N'-benzyl-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl]carbamimidoyl]amino]oxan-2-yl]methyl]carbamimidoyl]amino]oxan-2-yl]methyl acetate dihydrochloride Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[N'-benzyl-N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[[N'-benzyl-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxy-tetrahydropyran-2-yl]methyl]amidino]amino]tetrahydropyran-2-yl]methyl]amidino]amino]tetrahydropyran-2-yl]methyl ester dihydrochloride Formula: C55H74Cl2N6O24 MolecularWeight: 1274.10786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=NCC2=CC=CC=C2)NCC3C(C(C(C(O3)NC(=NCC4=CC=CC=C4)NCC5C(C(C(C(O5)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.Cl.Cl

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=NCC2=CC=CC=C2)NC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)NC(=NCC4=CC=CC=C4)NC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.Cl.Cl

InChI

InChI=1S/C55H72N6O24.2ClH/c1-27(62)73-26-41-44(76-30(4)65)46(78-32(6)67)49(81-35(9)70)52(84-41)61-54(56-22-37-18-14-12-15-19-37)58-24-39-42(74-28(2)63)45(77-31(5)66)48(80-34(8)69)51(83-39)60-55(57-23-38-20-16-13-17-21-38)59-25-40-43(75-29(3)64)47(79-33(7)68)50(82-36(10)71)53(72-11)85-40;;/h12-21,39-53H,22-26H2,1-11H3,(H2,56,58,61)(H2,57,59,60);2*1H/t39-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,50-,51-,52-,53+;;/m1../s1