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

Systemtic Name: 2-[(2R,3S)-3-[[(2S)-2-azanyl-3-pyridin-2-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-benzamide Openeye Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-(2-pyridylsulfanyl)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide CAS Name: 2-[(2R,3S)-3-[[(2S)-2-amino-1-oxo-3-(2-pyridinylthio)propyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide IUPAC Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-pyridin-2-ylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide Traditional Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-(2-pyridylthio)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide Formula: C29H36N4O3S MolecularWeight: 520.68614

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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=N3)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=N3)N)O

InChI

InChI=1S/C29H36N4O3S/c1-29(2,3)33-27(35)22-14-8-7-13-21(22)18-25(34)24(17-20-11-5-4-6-12-20)32-28(36)23(30)19-37-26-15-9-10-16-31-26/h4-16,23-25,34H,17-19,30H2,1-3H3,(H,32,36)(H,33,35)/t23-,24+,25-/m1/s1