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

Systemtic Name: 2-[(2R,3S)-3-[[(2S)-2-azanyl-3-naphthalen-2-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-benzamide Openeye Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-(2-naphthylsulfanyl)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide CAS Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-(2-naphthalenylthio)-1-oxopropyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide IUPAC Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-naphthalen-2-ylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide Traditional Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-(2-naphthylthio)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide Formula: C34H39N3O3S MolecularWeight: 569.75676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CC=CC=C2)NC(=O)C(CSC3=CC4=CC=CC=C4C=C3)N)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CSC3=CC4=CC=CC=C4C=C3)N)O

InChI

InChI=1S/C34H39N3O3S/c1-34(2,3)37-32(39)28-16-10-9-15-26(28)21-31(38)30(19-23-11-5-4-6-12-23)36-33(40)29(35)22-41-27-18-17-24-13-7-8-14-25(24)20-27/h4-18,20,29-31,38H,19,21-22,35H2,1-3H3,(H,36,40)(H,37,39)/t29-,30+,31-/m1/s1