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

Systemtic Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-naphthalen-2-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-benzamide Openeye Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-(2-naphthylsulfanyl)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide CAS Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-(2-naphthalenylthio)-1-oxopropyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide IUPAC Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-naphthalen-2-ylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide Traditional Name: 2-[(2R,3S)-3-[[(2R)-2-acetamido-3-(2-naphthylthio)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide Formula: C36H41N3O4S MolecularWeight: 611.79344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CC4=CC=CC=C4C(=O)NC(C)(C)C)O

InChI

InChI=1S/C36H41N3O4S/c1-24(40)37-32(23-44-29-19-18-26-14-8-9-15-27(26)21-29)35(43)38-31(20-25-12-6-5-7-13-25)33(41)22-28-16-10-11-17-30(28)34(42)39-36(2,3)4/h5-19,21,31-33,41H,20,22-23H2,1-4H3,(H,37,40)(H,38,43)(H,39,42)/t31-,32-,33+/m0/s1