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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O4/c1-4-15-31(16-5-2)28(35)23-14-10-13-22(18-23)27(34)30-25(17-21-11-8-7-9-12-21)26(33)20-29-19-24(32)6-3/h7-14,18,24-26,29,32-33H,4-6,15-17,19-20H2,1-3H3,(H,30,34)/t24?,25-,26+/m0/s1