(phenylmethyl) N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(5S)-6-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-5-(benzyloxycarbonylamino)-6-oxo-hexyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(5S)-6-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-5-(benzyloxycarbonylamino)-6-keto-hexyl]carbamic acid tert-butyl ester Formula: C28H38N4O6 MolecularWeight: 526.62452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H38N4O6/c1-28(2,3)38-26(35)30-17-11-10-16-22(32-27(36)37-19-21-14-8-5-9-15-21)25(34)31-23(24(29)33)18-20-12-6-4-7-13-20/h4-9,12-15,22-23H,10-11,16-19H2,1-3H3,(H2,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-,23-/m0/s1