[(1R)-1-[(3S,6S,9S,12S,13S)-3-(hydroxymethyl)-12-methyl-2,5,8,11-tetrakis(oxidanylidene)-9-propan-2-yl-13-tridecyl-1-oxa-4,7,10-triazacyclotridec-6-yl]ethyl] dihydrogen phosphate

Systemtic Name: [(1R)-1-[(3S,6S,9S,12S,13S)-3-(hydroxymethyl)-12-methyl-2,5,8,11-tetrakis(oxidanylidene)-9-propan-2-yl-13-tridecyl-1-oxa-4,7,10-triazacyclotridec-6-yl]ethyl] dihydrogen phosphate Openeye Name: [(1R)-1-[(3S,6S,9S,12S,13S)-3-(hydroxymethyl)-9-isopropyl-12-methyl-2,5,8,11-tetraoxo-13-tridecyl-1-oxa-4,7,10-triazacyclotridec-6-yl]ethyl] dihydrogen phosphate CAS Name: [(1R)-1-[(3S,6S,9S,12S,13S)-3-(hydroxymethyl)-12-methyl-2,5,8,11-tetraoxo-9-propan-2-yl-13-tridecyl-1-oxa-4,7,10-triazacyclotridec-6-yl]ethyl] dihydrogen phosphate IUPAC Name: [(1R)-1-[(3S,6S,9S,12S,13S)-3-(hydroxymethyl)-12-methyl-2,5,8,11-tetraoxo-9-propan-2-yl-13-tridecyl-1-oxa-4,7,10-triazacyclotridec-6-yl]ethyl] dihydrogen phosphate Traditional Name: [(1R)-1-[(3S,6S,9S,12S,13S)-9-isopropyl-2,5,8,11-tetraketo-12-methyl-3-methylol-13-tridecyl-1-oxa-4,7,10-triazacyclotridec-6-yl]ethyl] dihydrogen phosphate Formula: C29H54N3O10P MolecularWeight: 635.726921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CO)C(C)OP(=O)(O)O)C(C)C)C

Isomeric SMILES

CCCCCCCCCCCCC[C@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CO)[C@@H](C)OP(=O)(O)O)C(C)C)C

InChI

InChI=1S/C29H54N3O10P/c1-6-7-8-9-10-11-12-13-14-15-16-17-23-20(4)26(34)31-24(19(2)3)27(35)32-25(21(5)42-43(38,39)40)28(36)30-22(18-33)29(37)41-23/h19-25,33H,6-18H2,1-5H3,(H,30,36)(H,31,34)(H,32,35)(H2,38,39,40)/t20-,21+,22-,23-,24-,25-/m0/s1