N1,N3-bis[[(2R)-6-azanyl-1-(2-methylpropylamino)-1-oxidanylidene-hexan-2-yl]oxy]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[[(2R)-6-azanyl-1-(2-methylpropylamino)-1-oxidanylidene-hexan-2-yl]oxy]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[(1R)-5-amino-1-(isobutylcarbamoyl)pentoxy]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[[(2R)-6-amino-1-(2-methylpropylamino)-1-oxohexan-2-yl]oxy]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[[(2R)-6-amino-1-(2-methylpropylamino)-1-oxohexan-2-yl]oxy]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[(1R)-5-amino-1-(isobutylcarbamoyl)pentoxy]isophthalamide Formula: C28H48N6O6 MolecularWeight: 564.71732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(CCCCN)ONC(=O)C1=CC(=CC=C1)C(=O)NOC(CCCCN)C(=O)NCC(C)C

Isomeric SMILES

CC(C)CNC(=O)[C@@H](CCCCN)ONC(=O)C1=CC(=CC=C1)C(=O)NO[C@H](CCCCN)C(=O)NCC(C)C

InChI

InChI=1S/C28H48N6O6/c1-19(2)17-31-27(37)23(12-5-7-14-29)39-33-25(35)21-10-9-11-22(16-21)26(36)34-40-24(13-6-8-15-30)28(38)32-18-20(3)4/h9-11,16,19-20,23-24H,5-8,12-15,17-18,29-30H2,1-4H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)/t23-,24-/m1/s1