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

Systemtic Name: N1-[(2S,3R)-4-(cyclohexylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxy-propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxy-propyl]-N',N'-dipropyl-isophthalamide Formula: C30H43N3O3 MolecularWeight: 493.68072

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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(CNC3CCCCC3)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNC3CCCCC3)O

InChI

InChI=1S/C30H43N3O3/c1-3-18-33(19-4-2)30(36)25-15-11-14-24(21-25)29(35)32-27(20-23-12-7-5-8-13-23)28(34)22-31-26-16-9-6-10-17-26/h5,7-8,11-15,21,26-28,31,34H,3-4,6,9-10,16-20,22H2,1-2H3,(H,32,35)/t27-,28+/m0/s1