(phenylmethyl) (2S)-5-[[(Z)-N-methyl-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) (2S)-5-[[(Z)-N-methyl-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-5-[[(Z)-N,N'-bis(tert-butoxycarbonyl)-N-methyl-carbamimidoyl]-tert-butoxycarbonyl-amino]pentanoate CAS Name: (2S)-5-[[(Z)-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-[[(Z)-N-methyl-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-[[(Z)-N,N'-bis(tert-butoxycarbonyl)-N-methyl-amidino]-tert-butoxycarbonyl-amino]valeric acid benzyl ester Formula: C37H52N4O10 MolecularWeight: 712.82958

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H52N4O10/c1-35(2,3)49-32(44)39-30(40(10)33(45)50-36(4,5)6)41(34(46)51-37(7,8)9)23-17-22-28(29(42)47-24-26-18-13-11-14-19-26)38-31(43)48-25-27-20-15-12-16-21-27/h11-16,18-21,28H,17,22-25H2,1-10H3,(H,38,43)/b39-30-/t28-/m0/s1