(phenylmethyl) 6-azanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]hexanoate

Systemtic Name: (phenylmethyl) 6-azanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]hexanoate Openeye Name: benzyl 6-amino-2-[2-(tert-butoxycarbonylamino)propanoylamino]hexanoate CAS Name: 6-amino-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]hexanoate Traditional Name: 6-amino-2-[2-(tert-butoxycarbonylamino)propanoylamino]hexanoic acid benzyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCN)C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC(CCCCN)C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O5/c1-15(23-20(27)29-21(2,3)4)18(25)24-17(12-8-9-13-22)19(26)28-14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14,22H2,1-4H3,(H,23,27)(H,24,25)