(phenylmethyl) N-[(2S)-4-azanyl-1-[[(2S,3S)-4-[(1S)-1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-4-azanyl-1-[[(2S,3S)-4-[(1S)-1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-3-amino-1-[[(1S,2S)-1-benzyl-3-[(1S)-1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxy-3-oxo-propyl]carbamoyl]-3-oxo-propyl]carbamate CAS Name: N-[(2S)-4-amino-1-[[(2S,3S)-4-[(1S)-1-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(1S)-1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate Traditional Name: N-[(1S)-3-amino-1-[[(1S,2S)-1-benzyl-3-[(1S)-1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxy-3-keto-propyl]carbamoyl]-3-keto-propyl]carbamic acid benzyl ester Formula: C36H43N5O7 MolecularWeight: 657.75592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C(=O)C(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1C2=CC=CC=C2CCN1C(=O)[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C36H43N5O7/c1-36(2,3)40-33(45)30-26-17-11-10-16-25(26)18-19-41(30)34(46)31(43)27(20-23-12-6-4-7-13-23)38-32(44)28(21-29(37)42)39-35(47)48-22-24-14-8-5-9-15-24/h4-17,27-28,30-31,43H,18-22H2,1-3H3,(H2,37,42)(H,38,44)(H,39,47)(H,40,45)/t27-,28-,30-,31-/m0/s1