(2S)-6-azanyl-2-[(4-nitrophenyl)methoxycarbonylamino]hexanoic acid; 1,3-thiazolidin-3-ide

Systemtic Name: (2S)-6-azanyl-2-[(4-nitrophenyl)methoxycarbonylamino]hexanoic acid; 1,3-thiazolidin-3-ide Openeye Name: (2S)-6-amino-2-[(4-nitrophenyl)methoxycarbonylamino]hexanoic acid; thiazolidin-3-ide CAS Name: (2S)-6-amino-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]hexanoic acid; thiazolidin-3-ide IUPAC Name: (2S)-6-amino-2-[(4-nitrophenyl)methoxycarbonylamino]hexanoic acid; 1,3-thiazolidin-3-ide Traditional Name: (2S)-6-amino-2-[(4-nitrobenzyl)oxycarbonylamino]hexanoic acid; thiazolidin-3-ide Formula: C17H25N4O6S- MolecularWeight: 413.4686

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC[N-]1.C1=CC(=CC=C1COC(=O)NC(CCCCN)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CSC[N-]1.C1=CC(=CC=C1COC(=O)N[C@@H](CCCCN)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6.C3H6NS/c15-8-2-1-3-12(13(18)19)16-14(20)23-9-10-4-6-11(7-5-10)17(21)22;1-2-5-3-4-1/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19);1-3H2/q;-1/t12-;/m0./s1