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

Systemtic Name: N1-[(2S,3R)-4-(2-methylpropylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]-N',N'-dipropyl-isophthalamide Formula: C28H41N3O3 MolecularWeight: 467.64344

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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(CNCC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O3/c1-5-15-31(16-6-2)28(34)24-14-10-13-23(18-24)27(33)30-25(17-22-11-8-7-9-12-22)26(32)20-29-19-21(3)4/h7-14,18,21,25-26,29,32H,5-6,15-17,19-20H2,1-4H3,(H,30,33)/t25-,26+/m0/s1