2-[2-[[(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-2,2-dimethyl-6-oxidanyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methylcarbamoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[2-[[(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-2,2-dimethyl-6-oxidanyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methylcarbamoylamino]phenyl]ethanoic acid Openeye Name: 2-[2-[[(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methylcarbamoylamino]phenyl]acetic acid CAS Name: 2-[2-[[[[(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methylamino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[2-[[(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methylcarbamoylamino]phenyl]acetic acid Traditional Name: 2-[2-[[(3aS,5S,6R,6aS)-6-hydroxy-3a-(lauryloxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methylcarbamoylamino]phenyl]acetic acid Formula: C30H48N2O8 MolecularWeight: 564.71072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC12C(C(C(O1)CNC(=O)NC3=CC=CC=C3CC(=O)O)O)OC(O2)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CNC(=O)NC3=CC=CC=C3CC(=O)O)O)OC(O2)(C)C

InChI

InChI=1S/C30H48N2O8/c1-4-5-6-7-8-9-10-11-12-15-18-37-21-30-27(39-29(2,3)40-30)26(35)24(38-30)20-31-28(36)32-23-17-14-13-16-22(23)19-25(33)34/h13-14,16-17,24,26-27,35H,4-12,15,18-21H2,1-3H3,(H,33,34)(H2,31,32,36)/t24-,26+,27-,30-/m0/s1