[(2S)-2-[(3aR,5R,6S,6aR)-6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[N'-(phenylmethyl)-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-oxan-2-yl]methyl]carbamimidoyl]amino]ethyl] ethanoate hydrochloride

Systemtic Name: [(2S)-2-[(3aR,5R,6S,6aR)-6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[N'-(phenylmethyl)-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-oxan-2-yl]methyl]carbamimidoyl]amino]ethyl] ethanoate hydrochloride Openeye Name: [(2S)-2-[(3aR,5R,6S,6aR)-6-acetoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[N'-benzyl-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxy-tetrahydropyran-2-yl]methyl]carbamimidoyl]amino]ethyl] acetate hydrochloride CAS Name: acetic acid [(2S)-2-[(3aR,5R,6S,6aR)-6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(phenylmethyl)imino-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-2-oxanyl]methylamino]methyl]amino]ethyl] ester hydrochloride IUPAC Name: [(2S)-2-[(3aR,5R,6S,6aR)-6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[N'-benzyl-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl]carbamimidoyl]amino]ethyl] acetate hydrochloride Traditional Name: acetic acid [(2S)-2-[(3aR,5R,6S,6aR)-6-acetoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[N'-benzyl-N-[[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxy-tetrahydropyran-2-yl]methyl]amidino]amino]ethyl] ester hydrochloride Formula: C34H48ClN3O15 MolecularWeight: 774.20902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1C(C2C(O1)OC(O2)(C)C)OC(=O)C)NC(=NCC3=CC=CC=C3)NCC4C(C(C(C(O4)OC)OC(=O)C)OC(=O)C)OC(=O)C.Cl

Isomeric SMILES

CC(=O)OC[C@@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC(=O)C)NC(=NCC3=CC=CC=C3)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)OC(=O)C)OC(=O)C)OC(=O)C.Cl

InChI

InChI=1S/C34H47N3O15.ClH/c1-17(38)44-16-23(25-27(46-19(3)40)30-32(50-25)52-34(6,7)51-30)37-33(35-14-22-12-10-9-11-13-22)36-15-24-26(45-18(2)39)28(47-20(4)41)29(48-21(5)42)31(43-8)49-24;/h9-13,23-32H,14-16H2,1-8H3,(H2,35,36,37);1H/t23-,24+,25+,26+,27-,28-,29+,30+,31-,32+;/m0./s1