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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-16(17-8-4-2-5-9-17)24(30)28-22-13-12-19(27-25(31)21(26)15-32)14-20(22)23(29)18-10-6-3-7-11-18/h2-14,16,21,32H,15,26H2,1H3,(H,27,31)(H,28,30)/t16?,21-/m0/s1