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

Systemtic Name: N1-[(2S,3R)-3-oxidanyl-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-(2-pyridylmethylamino)propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-pyridinylmethylamino)butan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(2-pyridylmethylamino)propyl]-N',N'-dipropyl-isophthalamide Formula: C30H38N4O3 MolecularWeight: 502.64772

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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(CNCC3=CC=CC=N3)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC3=CC=CC=N3)O

InChI

InChI=1S/C30H38N4O3/c1-3-17-34(18-4-2)30(37)25-14-10-13-24(20-25)29(36)33-27(19-23-11-6-5-7-12-23)28(35)22-31-21-26-15-8-9-16-32-26/h5-16,20,27-28,31,35H,3-4,17-19,21-22H2,1-2H3,(H,33,36)/t27-,28+/m0/s1