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

Systemtic Name: N1-[(2S,3R)-3-oxidanyl-4-(2-oxidanylpropylamino)-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-(2-hydroxypropylamino)propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-(2-hydroxypropylamino)-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-4-(2-hydroxypropylamino)-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(2-hydroxypropylamino)propyl]-N',N'-dipropyl-isophthalamide Formula: C27H39N3O4 MolecularWeight: 469.61626

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O4/c1-4-14-30(15-5-2)27(34)23-13-9-12-22(17-23)26(33)29-24(16-21-10-7-6-8-11-21)25(32)19-28-18-20(3)31/h6-13,17,20,24-25,28,31-32H,4-5,14-16,18-19H2,1-3H3,(H,29,33)/t20?,24-,25+/m0/s1