(2R)-2-azanyl-N-[3-(phenylcarbonyl)-4-(3-phenylpropanoylamino)phenyl]-3-sulfanyl-propanamide

Systemtic Name: (2R)-2-azanyl-N-[3-(phenylcarbonyl)-4-(3-phenylpropanoylamino)phenyl]-3-sulfanyl-propanamide Openeye Name: (2R)-2-amino-N-[3-benzoyl-4-(3-phenylpropanoylamino)phenyl]-3-sulfanyl-propanamide CAS Name: (2R)-2-amino-N-[3-benzoyl-4-[(1-oxo-3-phenylpropyl)amino]phenyl]-3-mercaptopropanamide IUPAC Name: (2R)-2-amino-N-[3-benzoyl-4-(3-phenylpropanoylamino)phenyl]-3-sulfanylpropanamide Traditional Name: (2R)-2-amino-N-[3-benzoyl-4-(hydrocinnamoylamino)phenyl]-3-mercapto-propionamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)NC(=O)C(CS)N)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)NC(=O)[C@H](CS)N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c26-21(16-32)25(31)27-19-12-13-22(20(15-19)24(30)18-9-5-2-6-10-18)28-23(29)14-11-17-7-3-1-4-8-17/h1-10,12-13,15,21,32H,11,14,16,26H2,(H,27,31)(H,28,29)/t21-/m0/s1