propan-2-yl (4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-(aminomethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]carbonylamino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]carbonylamino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]carbonylamino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carboxylate

Systemtic Name: propan-2-yl (4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-(aminomethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]carbonylamino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]carbonylamino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]carbonylamino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carboxylate Openeye Name: isopropyl (4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-(aminomethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carboxylate CAS Name: (4R,6R,6aR)-6-[[[[(4R,6R,6aR)-6-[[[[(4R,6R,6aR)-6-[[[[(4R,6R,6aR)-6-(aminomethyl)-4-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]yl]-oxomethyl]amino]methyl]-4-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]yl]-oxomethyl]amino]methyl]-4-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]yl]-oxomethyl]amino]methyl]-4-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-(aminomethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carboxylate Traditional Name: (4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-[[[(4R,6R,6aR)-6-(aminomethyl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carbonyl]amino]methyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-carboxylic acid isopropyl ester Formula: C51H76N4O17 MolecularWeight: 1017.16574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C2C(C(O1)CNC(=O)C3C4C(C(O3)CNC(=O)C5C6C(C(O5)CNC(=O)C7C8C(C(O7)CN)OC9(O8)CCCCC9)OC1(O6)CCCCC1)OC1(O4)CCCCC1)OC1(O2)CCCCC1

Isomeric SMILES

CC(C)OC(=O)[C@H]1C2[C@@H]([C@H](O1)CNC(=O)[C@H]3C4[C@@H]([C@H](O3)CNC(=O)[C@H]5C6[C@@H]([C@H](O5)CNC(=O)[C@H]7C8[C@@H]([C@H](O7)CN)OC9(O8)CCCCC9)OC1(O6)CCCCC1)OC1(O4)CCCCC1)OC1(O2)CCCCC1

InChI

InChI=1S/C51H76N4O17/c1-27(2)60-47(59)43-39-35(68-51(72-39)21-13-6-14-22-51)31(64-43)26-55-46(58)42-38-34(67-50(71-38)19-11-5-12-20-50)30(63-42)25-54-45(57)41-37-33(66-49(70-37)17-9-4-10-18-49)29(62-41)24-53-44(56)40-36-32(28(23-52)61-40)65-48(69-36)15-7-3-8-16-48/h27-43H,3-26,52H2,1-2H3,(H,53,56)(H,54,57)(H,55,58)/t28-,29-,30-,31-,32-,33-,34-,35-,36?,37?,38?,39?,40-,41-,42-,43-/m1/s1