(phenylmethyl) 2-[[3-[[2-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-[[2-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoate Openeye Name: benzyl 2-[[3-[[2-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carbonyl]amino]-2-oxo-hexanoyl]amino]acetate CAS Name: 2-[[3-[[[2-[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-1,2-dioxohexyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-[[2-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carbonyl]amino]-2-oxohexanoyl]amino]acetate Traditional Name: 2-[[3-[[2-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carbonyl]amino]-2-keto-hexanoyl]amino]acetic acid benzyl ester Formula: C38H56N4O8 MolecularWeight: 696.87324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C2CC3CCCCC3CN2C(=O)C(C4CCCCC4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C2CC3CCCCC3CN2C(=O)C(C4CCCCC4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H56N4O8/c1-5-14-29(33(44)35(46)39-22-31(43)49-24-25-15-8-6-9-16-25)40-34(45)30-21-27-19-12-13-20-28(27)23-42(30)36(47)32(26-17-10-7-11-18-26)41-37(48)50-38(2,3)4/h6,8-9,15-16,26-30,32H,5,7,10-14,17-24H2,1-4H3,(H,39,46)(H,40,45)(H,41,48)