(phenylmethyl) (2S)-3-(2-methyl-5-nitro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(2-methyl-5-nitro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(2-methyl-5-nitro-1H-indol-3-yl)propanoate CAS Name: (2S)-3-(2-methyl-5-nitro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(2-methyl-5-nitro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(2-methyl-5-nitro-1H-indol-3-yl)propionic acid benzyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O6/c1-18-22(23-14-21(30(33)34)12-13-24(23)28-18)15-25(26(31)35-16-19-8-4-2-5-9-19)29-27(32)36-17-20-10-6-3-7-11-20/h2-14,25,28H,15-17H2,1H3,(H,29,32)/t25-/m0/s1