quinolin-2-yl N-[(2S)-4-azanyl-1-[[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-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]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-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-(2-naphthylsulfanylmethyl)propyl]carbamoyl]-3-oxo-propyl]carbamate CAS Name: N-[(2S)-4-amino-1-[[(2R,3R)-4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)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-naphthalen-2-ylsulfanylbutan-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-[(2-naphthylthio)methyl]propyl]carbamoyl]-3-keto-propyl]carbamic acid 2-quinolyl ester Formula: C39H41N5O6S MolecularWeight: 707.83774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC(=O)N)NC(=O)OC4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CSC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OC4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C39H41N5O6S/c1-39(2,3)44-36(47)29-14-8-6-13-27(29)21-33(45)32(23-51-28-18-16-24-10-4-5-12-26(24)20-28)42-37(48)31(22-34(40)46)43-38(49)50-35-19-17-25-11-7-9-15-30(25)41-35/h4-20,31-33,45H,21-23H2,1-3H3,(H2,40,46)(H,42,48)(H,43,49)(H,44,47)/t31-,32-,33+/m0/s1