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

Systemtic Name: 2-[(2R,3S)-3-[[(2S)-2-azanyl-3-phenylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-benzamide Openeye Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-phenylsulfanyl-propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide CAS Name: 2-[(2R,3S)-3-[[(2S)-2-amino-1-oxo-3-(phenylthio)propyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide IUPAC Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-phenylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide Traditional Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-(phenylthio)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide Formula: C30H37N3O3S MolecularWeight: 519.69808

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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=CC=CC=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=CC=CC=C3)N)O

InChI

InChI=1S/C30H37N3O3S/c1-30(2,3)33-28(35)24-17-11-10-14-22(24)19-27(34)26(18-21-12-6-4-7-13-21)32-29(36)25(31)20-37-23-15-8-5-9-16-23/h4-17,25-27,34H,18-20,31H2,1-3H3,(H,32,36)(H,33,35)/t25-,26+,27-/m1/s1