[(2S)-6-[(4-nitrophenyl)methoxycarbonylamino]-1-oxidanylidene-1-pyrrolidin-1-yl-hexan-2-yl]azanium

Systemtic Name: [(2S)-6-[(4-nitrophenyl)methoxycarbonylamino]-1-oxidanylidene-1-pyrrolidin-1-yl-hexan-2-yl]azanium Openeye Name: [(1S)-5-[(4-nitrophenyl)methoxycarbonylamino]-1-(pyrrolidine-1-carbonyl)pentyl]ammonium CAS Name: [(2S)-6-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxo-1-(1-pyrrolidinyl)hexan-2-yl]ammonium IUPAC Name: [(2S)-6-[(4-nitrophenyl)methoxycarbonylamino]-1-oxo-1-pyrrolidin-1-ylhexan-2-yl]azanium Traditional Name: [(1S)-5-[(4-nitrobenzyl)oxycarbonylamino]-1-(pyrrolidine-1-carbonyl)pentyl]ammonium Formula: C18H27N4O5+ MolecularWeight: 379.43078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[NH3+]

Isomeric SMILES

C1CCN(C1)C(=O)[C@H](CCCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C18H26N4O5/c19-16(17(23)21-11-3-4-12-21)5-1-2-10-20-18(24)27-13-14-6-8-15(9-7-14)22(25)26/h6-9,16H,1-5,10-13,19H2,(H,20,24)/p+1/t16-/m0/s1