(2S)-2-(phenylmethoxycarbonylamino)-6-(propan-2-ylazaniumyl)hexanoate

Systemtic Name: (2S)-2-(phenylmethoxycarbonylamino)-6-(propan-2-ylazaniumyl)hexanoate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-6-(isopropylammonio)hexanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-6-(propan-2-ylammonio)hexanoate IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)-6-(propan-2-ylazaniumyl)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-(isopropylammonio)hexanoate Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCCCC(C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[NH2+]CCCC[C@@H](C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H26N2O4/c1-13(2)18-11-7-6-10-15(16(20)21)19-17(22)23-12-14-8-4-3-5-9-14/h3-5,8-9,13,15,18H,6-7,10-12H2,1-2H3,(H,19,22)(H,20,21)/t15-/m0/s1