2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,4-dimethyl-6-[3-(3-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxypentadecanoyloxy]-3-oxidanylidene-1,4-diazepane-5-carboxylic acid

Systemtic Name: 2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,4-dimethyl-6-[3-(3-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxypentadecanoyloxy]-3-oxidanylidene-1,4-diazepane-5-carboxylic acid Openeye Name: 2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-6-[3-(5-hydroxy-3-methyl-5-oxo-pentanoyl)oxypentadecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid CAS Name: 2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxy-2-oxolanyl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl]-6-[3-(5-hydroxy-3-methyl-1,5-dioxopentoxy)-1-oxopentadecoxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid IUPAC Name: 2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(5-hydroxy-3-methyl-5-oxopentanoyl)oxypentadecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid Traditional Name: 2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-6-[3-(5-hydroxy-5-keto-3-methyl-pentanoyl)oxypentadecanoyloxy]-3-keto-1,4-dimethyl-1,4-diazepane-5-carboxylic acid Formula: C43H69N5O18 MolecularWeight: 944.03066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OC4C(C(C(O4)CN)O)O)C)OC(=O)CC(C)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CC(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C)OC(=O)CC(C)CC(=O)O

InChI

InChI=1S/C43H69N5O18/c1-5-6-7-8-9-10-11-12-13-14-15-24(62-29(52)19-23(2)18-28(50)51)20-30(53)63-26-22-46(3)32(39(58)47(4)31(26)41(59)60)37(66-42-36(57)33(54)25(21-44)64-42)38-34(55)35(56)40(65-38)48-17-16-27(49)45-43(48)61/h16-17,23-26,31-38,40,42,54-57H,5-15,18-22,44H2,1-4H3,(H,50,51)(H,59,60)(H,45,49,61)/t23?,24?,25-,26?,31?,32?,33-,34+,35-,36-,37?,38+,40-,42+/m1/s1