N1-[(2S,3R)-3-oxidanyl-4-(4-oxidanylbutylamino)-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S,3R)-3-oxidanyl-4-(4-oxidanylbutylamino)-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-(4-hydroxybutylamino)propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-(4-hydroxybutylamino)-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-4-(4-hydroxybutylamino)-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(4-hydroxybutylamino)propyl]-N',N'-dipropyl-isophthalamide Formula: C28H41N3O4 MolecularWeight: 483.64284

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCCCCO)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCCCCO)O

InChI

InChI=1S/C28H41N3O4/c1-3-16-31(17-4-2)28(35)24-14-10-13-23(20-24)27(34)30-25(19-22-11-6-5-7-12-22)26(33)21-29-15-8-9-18-32/h5-7,10-14,20,25-26,29,32-33H,3-4,8-9,15-19,21H2,1-2H3,(H,30,34)/t25-,26+/m0/s1