(4-nitrophenyl)methyl 5-azanyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 5-azanyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoylamino]-5-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 5-amino-4-[2-(tert-butoxycarbonylamino)pent-4-enoylamino]-5-oxo-pentanoate CAS Name: 5-amino-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopent-4-enyl]amino]-5-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoylamino]-5-oxopentanoate Traditional Name: 5-amino-4-[2-(tert-butoxycarbonylamino)pent-4-enoylamino]-5-keto-valeric acid (4-nitrobenzyl) ester Formula: C22H30N4O8 MolecularWeight: 478.4956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O8/c1-5-6-17(25-21(30)34-22(2,3)4)20(29)24-16(19(23)28)11-12-18(27)33-13-14-7-9-15(10-8-14)26(31)32/h5,7-10,16-17H,1,6,11-13H2,2-4H3,(H2,23,28)(H,24,29)(H,25,30)