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-[(Z)-3-(3-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxyhexadec-7-enoyl]oxy-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-[(Z)-3-(3-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxyhexadec-7-enoyl]oxy-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-[(Z)-3-(5-hydroxy-3-methyl-5-oxo-pentanoyl)oxyhexadec-7-enoyl]oxy-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-[(Z)-3-(5-hydroxy-3-methyl-1,5-dioxopentoxy)-1-oxohexadec-7-enoxy]-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-[(Z)-3-(5-hydroxy-3-methyl-5-oxopentanoyl)oxyhexadec-7-enoyl]oxy-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-[(Z)-3-(5-hydroxy-5-keto-3-methyl-pentanoyl)oxyhexadec-7-enoyl]oxy-3-keto-1,4-dimethyl-1,4-diazepane-5-carboxylic acid Formula: C44H69N5O18 MolecularWeight: 956.04136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCC(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

CCCCCCCC/C=C\CCCC(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/C44H69N5O18/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(63-30(53)20-24(2)19-29(51)52)21-31(54)64-27-23-47(3)33(40(59)48(4)32(27)42(60)61)38(67-43-37(58)34(55)26(22-45)65-43)39-35(56)36(57)41(66-39)49-18-17-28(50)46-44(49)62/h12-13,17-18,24-27,32-39,41,43,55-58H,5-11,14-16,19-23,45H2,1-4H3,(H,51,52)(H,60,61)(H,46,50,62)/b13-12-/t24?,25?,26-,27?,32?,33?,34-,35+,36-,37-,38?,39+,41-,43+/m1/s1