N',N'-diphenethyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanediamide

Systemtic Name: N',N'-diphenethyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanediamide Openeye Name: N',N'-diphenethyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanediamide CAS Name: 2-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-N',N'-diphenethylpropanediamide IUPAC Name: N',N'-diphenethyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]propanediamide Traditional Name: 2-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-N',N'-diphenethyl-malonamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C(=O)C(C(=O)N)NC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C(=O)C(C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)S

InChI

InChI=1S/C28H31N3O3S/c29-26(32)25(30-27(33)24(35)20-23-14-8-3-9-15-23)28(34)31(18-16-21-10-4-1-5-11-21)19-17-22-12-6-2-7-13-22/h1-15,24-25,35H,16-20H2,(H2,29,32)(H,30,33)/t24-,25?/m0/s1