methyl (2S)-2-azanyl-3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[4-[6-(tert-butoxycarbonylamino)hexoxy]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[6-(tert-butoxycarbonylamino)hexoxy]phenyl]propionic acid methyl ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCOC1=CC=C(C=C1)CC(C(=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCOC1=CC=C(C=C1)C[C@@H](C(=O)OC)N

InChI

InChI=1S/C21H34N2O5/c1-21(2,3)28-20(25)23-13-7-5-6-8-14-27-17-11-9-16(10-12-17)15-18(22)19(24)26-4/h9-12,18H,5-8,13-15,22H2,1-4H3,(H,23,25)/t18-/m0/s1