(2S)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(4-nitrobenzyl)oxycarbonylamino]propionic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c23-18(24)17(9-13-10-20-16-4-2-1-3-15(13)16)21-19(25)28-11-12-5-7-14(8-6-12)22(26)27/h1-8,10,17,20H,9,11H2,(H,21,25)(H,23,24)/t17-/m0/s1