ethyl 3-[(3aS,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[3-[[1-[(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxidanylidene-propyl]carbamoylamino]phenyl]carbamoylamino]propanoate

Systemtic Name: ethyl 3-[(3aS,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[3-[[1-[(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxidanylidene-propyl]carbamoylamino]phenyl]carbamoylamino]propanoate Openeye Name: ethyl 3-[(3aS,6R,6aS)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[3-[[1-[(3aR,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxo-propyl]carbamoylamino]phenyl]carbamoylamino]propanoate CAS Name: 3-[(3aS,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[[3-[[[[1-[(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxopropyl]amino]-oxomethyl]amino]anilino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3aS,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[3-[[1-[(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxopropyl]carbamoylamino]phenyl]carbamoylamino]propanoate Traditional Name: 3-[(3aS,6R,6aS)-6-benzoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[3-[[1-[(3aR,6S,6aR)-6-benzoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-keto-propyl]carbamoylamino]phenyl]carbamoylamino]propionic acid ethyl ester Formula: C46H58N4O14 MolecularWeight: 890.97112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1C(C2C(O1)OC(O2)(C)C)OCC3=CC=CC=C3)NC(=O)NC4=CC(=CC=C4)NC(=O)NC(CC(=O)OCC)C5C(C6C(O5)OC(O6)(C)C)OCC7=CC=CC=C7

Isomeric SMILES

CCOC(=O)CC(C1[C@H]([C@H]2[C@@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3)NC(=O)NC4=CC(=CC=C4)NC(=O)NC(CC(=O)OCC)C5[C@@H]([C@@H]6[C@H](O5)OC(O6)(C)C)OCC7=CC=CC=C7

InChI

InChI=1S/C46H58N4O14/c1-7-55-33(51)23-31(35-37(57-25-27-16-11-9-12-17-27)39-41(59-35)63-45(3,4)61-39)49-43(53)47-29-20-15-21-30(22-29)48-44(54)50-32(24-34(52)56-8-2)36-38(58-26-28-18-13-10-14-19-28)40-42(60-36)64-46(5,6)62-40/h9-22,31-32,35-42H,7-8,23-26H2,1-6H3,(H2,47,49,53)(H2,48,50,54)/t31?,32?,35?,36?,37-,38+,39+,40-,41+,42-