(phenylmethyl) N-[(2S)-4-azanyl-1-[[(2S,3S)-4-[[2-(tert-butylcarbamoyl)phenyl]amino]-3-oxidanyl-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-[[2-(tert-butylcarbamoyl)phenyl]amino]-3-oxidanyl-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-[2-(tert-butylcarbamoyl)anilino]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamate CAS Name: N-[(2S)-4-amino-1-[[(2S,3S)-4-[2-[(tert-butylamino)-oxomethyl]anilino]-3-hydroxy-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-[2-(tert-butylcarbamoyl)anilino]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate Traditional Name: N-[(1S)-3-amino-1-[[(1S,2S)-1-benzyl-3-[2-(tert-butylcarbamoyl)anilino]-2-hydroxy-propyl]carbamoyl]-3-keto-propyl]carbamic acid benzyl ester Formula: C33H41N5O6 MolecularWeight: 603.70854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NCC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C33H41N5O6/c1-33(2,3)38-30(41)24-16-10-11-17-25(24)35-20-28(39)26(18-22-12-6-4-7-13-22)36-31(42)27(19-29(34)40)37-32(43)44-21-23-14-8-5-9-15-23/h4-17,26-28,35,39H,18-21H2,1-3H3,(H2,34,40)(H,36,42)(H,37,43)(H,38,41)/t26-,27-,28-/m0/s1