methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl (2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H23N3O7/c1-17(2,3)27-16(23)18-10-14(21)19-13(15(22)26-4)9-11-5-7-12(8-6-11)20(24)25/h5-8,13H,9-10H2,1-4H3,(H,18,23)(H,19,21)/t13-/m0/s1