(2R)-3-[(1S,2S)-2-nitrocyclopropyl]-2-[[phenyl-[2-[[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]phenyl]methylidene]amino]propanoic acid

Systemtic Name: (2R)-3-[(1S,2S)-2-nitrocyclopropyl]-2-[[phenyl-[2-[[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]phenyl]methylidene]amino]propanoic acid Openeye Name: (2R)-2-[[[2-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenyl-methylene]amino]-3-[(1S,2S)-2-nitrocyclopropyl]propanoic acid CAS Name: (2R)-3-[(1S,2S)-2-nitrocyclopropyl]-2-[[[2-[[oxo-[(2R)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]amino]phenyl]-phenylmethylidene]amino]propanoic acid IUPAC Name: (2R)-2-[[[2-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-3-[(1S,2S)-2-nitrocyclopropyl]propanoic acid Traditional Name: (2R)-2-[[[2-[[(2R)-1-benzylprolyl]amino]phenyl]-phenyl-methylene]amino]-3-[(1S,2S)-2-nitrocyclopropyl]propionic acid Formula: C31H32N4O5 MolecularWeight: 540.60958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=NC(CC4CC4[N+](=O)[O-])C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=N[C@H](C[C@H]4C[C@@H]4[N+](=O)[O-])C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O5/c36-30(27-16-9-17-34(27)20-21-10-3-1-4-11-21)33-25-15-8-7-14-24(25)29(22-12-5-2-6-13-22)32-26(31(37)38)18-23-19-28(23)35(39)40/h1-8,10-15,23,26-28H,9,16-20H2,(H,33,36)(H,37,38)/t23-,26+,27+,28-/m0/s1