2-methylundecan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: 2-methylundecan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: 1,1-dimethyldecyl (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid 2-methylundecan-2-yl ester IUPAC Name: 2-methylundecan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid 1,1-dimethyldecyl ester Formula: C26H43NO4 MolecularWeight: 433.62392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H43NO4/c1-7-8-9-10-11-12-16-19-26(5,6)30-23(28)22(20-21-17-14-13-15-18-21)27-24(29)31-25(2,3)4/h13-15,17-18,22H,7-12,16,19-20H2,1-6H3,(H,27,29)/t22-/m0/s1