(phenylmethyl) (2S)-4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) (2S)-4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-4-[[(E)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-tert-butoxycarbonyl-amino]butanoate CAS Name: (2S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-[[(E)-N,N'-bis(tert-butoxycarbonyl)amidino]-tert-butoxycarbonyl-amino]butyric acid benzyl ester Formula: C35H48N4O10 MolecularWeight: 684.77642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N(CCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=N\C(=O)OC(C)(C)C)/N(CC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H48N4O10/c1-33(2,3)47-30(42)37-28(38-31(43)48-34(4,5)6)39(32(44)49-35(7,8)9)21-20-26(27(40)45-22-24-16-12-10-13-17-24)36-29(41)46-23-25-18-14-11-15-19-25/h10-19,26H,20-23H2,1-9H3,(H,36,41)(H,37,38,42,43)/t26-/m0/s1