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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)C(=O)N(CCC)CCC)O

Isomeric SMILES

CCCCNC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)C(=O)N(CCC)CCC)O

InChI

InChI=1S/C28H41N3O3/c1-4-7-16-29-21-26(32)25(19-22-12-9-8-10-13-22)30-27(33)23-14-11-15-24(20-23)28(34)31(17-5-2)18-6-3/h8-15,20,25-26,29,32H,4-7,16-19,21H2,1-3H3,(H,30,33)/t25-,26+/m0/s1