N,N'-bis[2-(3-methoxyphenyl)ethyl]-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanediamide

Systemtic Name: N,N'-bis[2-(3-methoxyphenyl)ethyl]-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanediamide Openeye Name: N,N'-bis[2-(3-methoxyphenyl)ethyl]-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propanediamide CAS Name: 2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-N,N'-bis[2-(3-methoxyphenyl)ethyl]propanediamide IUPAC Name: N,N'-bis[2-(3-methoxyphenyl)ethyl]-2-[(3-phenyl-2-sulfanylpropanoyl)amino]propanediamide Traditional Name: 2-[(2-mercapto-3-phenyl-propanoyl)amino]-N,N'-bis[2-(3-methoxyphenyl)ethyl]malonamide Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=O)C(C(=O)NCCC2=CC(=CC=C2)OC)NC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=O)C(C(=O)NCCC2=CC(=CC=C2)OC)NC(=O)C(CC3=CC=CC=C3)S

InChI

InChI=1S/C30H35N3O5S/c1-37-24-12-6-10-22(18-24)14-16-31-29(35)27(33-28(34)26(39)20-21-8-4-3-5-9-21)30(36)32-17-15-23-11-7-13-25(19-23)38-2/h3-13,18-19,26-27,39H,14-17,20H2,1-2H3,(H,31,35)(H,32,36)(H,33,34)