(4S,5S)-5-azanyl-N-[1H-indol-2-yl-(3-methylphenyl)methyl]-4-oxidanyl-6-phenyl-hexanamide

Systemtic Name: (4S,5S)-5-azanyl-N-[1H-indol-2-yl-(3-methylphenyl)methyl]-4-oxidanyl-6-phenyl-hexanamide Openeye Name: (4S,5S)-5-amino-4-hydroxy-N-[1H-indol-2-yl(m-tolyl)methyl]-6-phenyl-hexanamide CAS Name: (4S,5S)-5-amino-4-hydroxy-N-[1H-indol-2-yl-(3-methylphenyl)methyl]-6-phenylhexanamide IUPAC Name: (4S,5S)-5-amino-4-hydroxy-N-[1H-indol-2-yl-(3-methylphenyl)methyl]-6-phenylhexanamide Traditional Name: (4S,5S)-5-amino-4-hydroxy-N-[1H-indol-2-yl(m-tolyl)methyl]-6-phenyl-hexanamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC3=CC=CC=C3N2)NC(=O)CCC(C(CC4=CC=CC=C4)N)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC3=CC=CC=C3N2)NC(=O)CC[C@@H]([C@H](CC4=CC=CC=C4)N)O

InChI

InChI=1S/C28H31N3O2/c1-19-8-7-12-22(16-19)28(25-18-21-11-5-6-13-24(21)30-25)31-27(33)15-14-26(32)23(29)17-20-9-3-2-4-10-20/h2-13,16,18,23,26,28,30,32H,14-15,17,29H2,1H3,(H,31,33)/t23-,26-,28?/m0/s1