(2S)-2-[(S)-[5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-N-heptadecyl-1,4-dimethyl-3-oxidanylidene-2,7-dihydro-1,4-diazepine-5-carboxamide

Systemtic Name: (2S)-2-[(S)-[5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-N-heptadecyl-1,4-dimethyl-3-oxidanylidene-2,7-dihydro-1,4-diazepine-5-carboxamide Openeye Name: (2S)-2-[(S)-[5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-N-heptadecyl-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide CAS Name: (2S)-2-[(S)-[5-(aminomethyl)-3,4-dihydroxy-2-oxolanyl]oxy-[5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl]-N-heptadecyl-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide IUPAC Name: (2S)-2-[(S)-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-heptadecyl-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide Traditional Name: (2S)-2-[(S)-[5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-[5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-N-heptadecyl-3-keto-1,4-dimethyl-2,7-dihydro-1,4-diazepine-5-carboxamide Formula: C39H66N6O11 MolecularWeight: 794.97494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)C1=CCN(C(C(=O)N1C)C(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OC4C(C(C(O4)CN)O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)C1=CCN([C@H](C(=O)N1C)[C@@H](C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OC4C(C(C(O4)CN)O)O)C

InChI

InChI=1S/C39H66N6O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-41-35(51)25-19-22-43(2)28(36(52)44(25)3)33(56-38-32(50)29(47)26(24-40)54-38)34-30(48)31(49)37(55-34)45-23-20-27(46)42-39(45)53/h19-20,23,26,28-34,37-38,47-50H,4-18,21-22,24,40H2,1-3H3,(H,41,51)(H,42,46,53)/t26?,28-,29?,30?,31?,32?,33-,34?,37?,38?/m0/s1