2-[4-(4-carbamimidoylphenyl)-1,3-bis(oxidanylidene)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-1,3-bis(oxidanylidene)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenyl-propanoic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenylpropanoic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenylpropanoic acid Traditional Name: 2-[4-(4-amidinophenyl)-1,3-diketo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]-3-phenyl-propionic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3C(C(N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)C(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC2C3C(C(N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)C(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H26N4O4/c26-22(27)16-10-8-15(9-11-16)21-20-19(17-7-4-12-28(17)21)23(30)29(24(20)31)18(25(32)33)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-21H,4,7,12-13H2,(H3,26,27)(H,32,33)