(4-nitrophenyl)methyl 2-[(2S)-4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-4-oxidanylidene-butanoyl]peroxyethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2S)-4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-4-oxidanylidene-butanoyl]peroxyethanoate Openeye Name: (4-nitrophenyl)methyl 2-[(2S)-4-amino-2-(tert-butoxycarbonylamino)-3-hydroxy-4-oxo-butanoyl]peroxyacetate CAS Name: 2-[(2S)-4-amino-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxobutyl]dioxyacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2S)-4-amino-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]peroxyacetate Traditional Name: 2-[(2S)-4-amino-2-(tert-butoxycarbonylamino)-3-hydroxy-4-keto-butanoyl]peroxyacetic acid (4-nitrobenzyl) ester Formula: C18H23N3O11 MolecularWeight: 457.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C(=O)N)O)C(=O)OOCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C(C(=O)N)O)C(=O)OOCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O11/c1-18(2,3)31-17(26)20-13(14(23)15(19)24)16(25)32-30-9-12(22)29-8-10-4-6-11(7-5-10)21(27)28/h4-7,13-14,23H,8-9H2,1-3H3,(H2,19,24)(H,20,26)/t13-,14?/m0/s1