[(2-methylpropan-2-yl)oxycarbonylamino] (2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonylamino] (2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: (tert-butoxycarbonylamino) (2S)-2-amino-3-(4-benzyloxyphenyl)propanoate CAS Name: (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester IUPAC Name: [(2-methylpropan-2-yl)oxycarbonylamino] (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(4-benzoxyphenyl)propionic acid (tert-butoxycarbonylamino) ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NOC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NOC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)N

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)27-20(25)23-28-19(24)18(22)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14,22H2,1-3H3,(H,23,25)/t18-/m0/s1