2-[(2R,3S)-3-[[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-benzamide

Systemtic Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-benzamide Openeye Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide CAS Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-1-oxo-3-(phenylthio)propyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide IUPAC Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-phenylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide Traditional Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-(phenylthio)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide Formula: C32H39N3O4S MolecularWeight: 561.73476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(CC3=CC=CC=C3C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3C(=O)NC(C)(C)C)O

InChI

InChI=1S/C32H39N3O4S/c1-22(36)33-28(21-40-25-16-9-6-10-17-25)31(39)34-27(19-23-13-7-5-8-14-23)29(37)20-24-15-11-12-18-26(24)30(38)35-32(2,3)4/h5-18,27-29,37H,19-21H2,1-4H3,(H,33,36)(H,34,39)(H,35,38)/t27-,28-,29+/m0/s1