(phenylmethyl) 2-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanethioylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanethioylamino]ethanoate Openeye Name: benzyl 2-[2,6-bis(tert-butoxycarbonylamino)hexanethioylamino]acetate CAS Name: 2-[[2,6-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-sulfanylidenehexyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanethioylamino]acetate Traditional Name: 2-[2,6-bis(tert-butoxycarbonylamino)hexanethioylamino]acetic acid benzyl ester Formula: C25H39N3O6S MolecularWeight: 509.65866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=S)NCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(C(=S)NCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H39N3O6S/c1-24(2,3)33-22(30)26-15-11-10-14-19(28-23(31)34-25(4,5)6)21(35)27-16-20(29)32-17-18-12-8-7-9-13-18/h7-9,12-13,19H,10-11,14-17H2,1-6H3,(H,26,30)(H,27,35)(H,28,31)