quinolin-2-yl N-[(2S)-4-azanyl-1-[[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-oxidanyl-1-phenylsulfanyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamate

Systemtic Name: quinolin-2-yl N-[(2S)-4-azanyl-1-[[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-oxidanyl-1-phenylsulfanyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamate Openeye Name: 2-quinolyl N-[(1S)-3-amino-1-[[(1R,2R)-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(phenylsulfanylmethyl)propyl]carbamoyl]-3-oxo-propyl]carbamate CAS Name: N-[(2S)-4-amino-1-[[(2R,3R)-4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(phenylthio)butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamic acid 2-quinolinyl ester IUPAC Name: quinolin-2-yl N-[(2S)-4-amino-1-[[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate Traditional Name: N-[(1S)-3-amino-1-[[(1R,2R)-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(phenylthio)methyl]propyl]carbamoyl]-3-keto-propyl]carbamic acid 2-quinolyl ester Formula: C35H39N5O6S MolecularWeight: 657.77906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)OC3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CSC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C35H39N5O6S/c1-35(2,3)40-32(43)25-15-9-7-12-23(25)19-29(41)28(21-47-24-13-5-4-6-14-24)38-33(44)27(20-30(36)42)39-34(45)46-31-18-17-22-11-8-10-16-26(22)37-31/h4-18,27-29,41H,19-21H2,1-3H3,(H2,36,42)(H,38,44)(H,39,45)(H,40,43)/t27-,28-,29+/m0/s1