(2S)-3-[4-[1,3-bis(oxidanylidene)pyrrolo[3,4-c]pyridin-2-yl]phenyl]-2-[[(2S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-[1,3-bis(oxidanylidene)pyrrolo[3,4-c]pyridin-2-yl]phenyl]-2-[[(2S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-benzyl-5-oxo-pyrrolidine-2-carbonyl]amino]-3-[4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]propanoic acid CAS Name: (2S)-3-[4-(1,3-dioxo-2-pyrrolo[3,4-c]pyridinyl)phenyl]-2-[[oxo-[(2S)-5-oxo-1-(phenylmethyl)-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-[4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-benzyl-5-keto-prolyl]amino]-3-[4-(1,3-diketopyrrolo[3,4-c]pyridin-2-yl)phenyl]propionic acid Formula: C28H24N4O6 MolecularWeight: 512.51336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C(=O)NC(CC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=NC=C4)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N([C@@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=NC=C4)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O6/c33-24-11-10-23(31(24)16-18-4-2-1-3-5-18)25(34)30-22(28(37)38)14-17-6-8-19(9-7-17)32-26(35)20-12-13-29-15-21(20)27(32)36/h1-9,12-13,15,22-23H,10-11,14,16H2,(H,30,34)(H,37,38)/t22-,23-/m0/s1