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

Systemtic Name: 2-[(2R,3S)-3-[[(2S)-2-azanyl-3-quinolin-2-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-benzamide Openeye Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-(2-quinolylsulfanyl)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide CAS Name: 2-[(2R,3S)-3-[[(2S)-2-amino-1-oxo-3-(2-quinolinylthio)propyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide IUPAC Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-quinolin-2-ylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutyl]-N-tert-butylbenzamide Traditional Name: 2-[(2R,3S)-3-[[(2S)-2-amino-3-(2-quinolylthio)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-N-tert-butyl-benzamide Formula: C33H38N4O3S MolecularWeight: 570.74482

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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=NC4=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=NC4=CC=CC=C4C=C3)N)O

InChI

InChI=1S/C33H38N4O3S/c1-33(2,3)37-31(39)25-15-9-7-14-24(25)20-29(38)28(19-22-11-5-4-6-12-22)36-32(40)26(34)21-41-30-18-17-23-13-8-10-16-27(23)35-30/h4-18,26,28-29,38H,19-21,34H2,1-3H3,(H,36,40)(H,37,39)/t26-,28+,29-/m1/s1