methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[6-(2-phenylethanoylamino)hexanoylamino]hexanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[6-(2-phenylethanoylamino)hexanoylamino]hexanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-6-[6-[(2-phenylacetyl)amino]hexanoylamino]hexanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[1-oxo-6-[(1-oxo-2-phenylethyl)amino]hexyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[6-[(2-phenylacetyl)amino]hexanoylamino]hexanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-6-[6-[(2-phenylacetyl)amino]hexanoylamino]hexanoic acid methyl ester Formula: C26H41N3O6 MolecularWeight: 491.62024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)CCCCCNC(=O)CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C26H41N3O6/c1-26(2,3)35-25(33)29-21(24(32)34-4)15-10-12-18-27-22(30)16-9-6-11-17-28-23(31)19-20-13-7-5-8-14-20/h5,7-8,13-14,21H,6,9-12,15-19H2,1-4H3,(H,27,30)(H,28,31)(H,29,33)/t21-/m0/s1