(phenylmethyl) N-[(2S)-1-azanyl-3-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]-N-[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-azanyl-3-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]-N-[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]carbamate Openeye Name: benzyl N-[(1S)-2-amino-1-[(4-bromophenyl)methyl]-2-oxo-ethyl]-N-[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]carbamate CAS Name: N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-[(2S,3S)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamate Traditional Name: N-[(1S)-2-amino-1-(4-bromobenzyl)-2-keto-ethyl]-N-[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]carbamic acid benzyl ester Formula: C32H38BrN3O6 MolecularWeight: 640.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(C(CC2=CC=C(C=C2)Br)C(=O)N)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN([C@@H](CC2=CC=C(C=C2)Br)C(=O)N)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C32H38BrN3O6/c1-32(2,3)42-30(39)35-26(18-22-10-6-4-7-11-22)28(37)20-36(31(40)41-21-24-12-8-5-9-13-24)27(29(34)38)19-23-14-16-25(33)17-15-23/h4-17,26-28,37H,18-21H2,1-3H3,(H2,34,38)(H,35,39)/t26-,27-,28-/m0/s1