[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]azanium

Systemtic Name: [(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-oxidanylidene-1-phenylmethoxy-hexan-2-yl]azanium Openeye Name: [(1S)-1-benzyloxycarbonyl-5-[(2-chlorophenyl)methoxycarbonylamino]pentyl]ammonium CAS Name: [(2S)-6-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl]ammonium IUPAC Name: [(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-oxo-1-phenylmethoxyhexan-2-yl]azanium Traditional Name: [(1S)-1-carbobenzoxy-5-[(2-chlorobenzyl)oxycarbonylamino]pentyl]ammonium Formula: C21H26ClN2O4+ MolecularWeight: 405.89514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2Cl)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2Cl)[NH3+]

InChI

InChI=1S/C21H25ClN2O4/c22-18-11-5-4-10-17(18)15-28-21(26)24-13-7-6-12-19(23)20(25)27-14-16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15,23H2,(H,24,26)/p+1/t19-/m0/s1