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

Systemtic Name: 2-[(2R,3S)-3-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-benzamide Openeye Name: 2-[(2R,3S)-3-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide CAS Name: 2-[(2R,3S)-3-[[(2S)-2-acetamido-4-(methylthio)-1-oxobutyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide IUPAC Name: 2-[(2R,3S)-3-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide Traditional Name: 2-[(2R,3S)-3-[[(2S)-2-acetamido-4-(methylthio)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(CC2=CC=CC=C2C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CC2=CC=CC=C2C(=O)NC(C)(C)C)O

InChI

InChI=1S/C28H39N3O4S/c1-19(32)29-23(15-16-36-5)27(35)30-24(17-20-11-7-6-8-12-20)25(33)18-21-13-9-10-14-22(21)26(34)31-28(2,3)4/h6-14,23-25,33H,15-18H2,1-5H3,(H,29,32)(H,30,35)(H,31,34)/t23-,24-,25+/m0/s1