ethyl 3-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[14-[[1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxidanylidene-propyl]amino]tetradecylamino]propanoate

Systemtic Name: ethyl 3-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[14-[[1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxidanylidene-propyl]amino]tetradecylamino]propanoate Openeye Name: ethyl 3-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[14-[[1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxo-propyl]amino]tetradecylamino]propanoate CAS Name: 3-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[14-[[1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxopropyl]amino]tetradecylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[14-[[1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxopropyl]amino]tetradecylamino]propanoate Traditional Name: 3-[(3aS,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[14-[[1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-keto-propyl]amino]tetradecylamino]propionic acid ethyl ester Formula: C40H72N2O12 MolecularWeight: 773.00588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1C(C2C(O1)OC(O2)(C)C)OC)NCCCCCCCCCCCCCCNC(CC(=O)OCC)C3C(C4C(O3)OC(O4)(C)C)OC

Isomeric SMILES

CCOC(=O)CC([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC)NCCCCCCCCCCCCCCNC(CC(=O)OCC)[C@H]3[C@H]([C@H]4[C@@H](O3)OC(O4)(C)C)OC

InChI

InChI=1S/C40H72N2O12/c1-9-47-29(43)25-27(31-33(45-7)35-37(49-31)53-39(3,4)51-35)41-23-21-19-17-15-13-11-12-14-16-18-20-22-24-42-28(26-30(44)48-10-2)32-34(46-8)36-38(50-32)54-40(5,6)52-36/h27-28,31-38,41-42H,9-26H2,1-8H3/t27?,28?,31-,32+,33+,34-,35-,36+,37-,38+