5-(3-azanyl-3-oxidanylidene-propyl)-4-(4-carbamimidoylphenyl)-2-methyl-1,3-bis(oxidanylidene)-6-(phenylmethyl)-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-propyl)-4-(4-carbamimidoylphenyl)-2-methyl-1,3-bis(oxidanylidene)-6-(phenylmethyl)-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Openeye Name: 5-(3-amino-3-oxo-propyl)-6-benzyl-4-(4-carbamimidoylphenyl)-2-methyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid CAS Name: 5-(3-amino-3-oxopropyl)-4-(4-carbamimidoylphenyl)-2-methyl-1,3-dioxo-6-(phenylmethyl)-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid IUPAC Name: 5-(3-amino-3-oxopropyl)-6-benzyl-4-(4-carbamimidoylphenyl)-2-methyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Traditional Name: 4-(4-amidinophenyl)-5-(3-amino-3-keto-propyl)-6-benzyl-1,3-diketo-2-methyl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(N(C(C2C1=O)(C3=CC=C(C=C3)C(=N)N)C(=O)O)CCC(=O)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2C(N(C(C2C1=O)(C3=CC=C(C=C3)C(=N)N)C(=O)O)CCC(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O5/c1-29-22(32)19-17(13-14-5-3-2-4-6-14)30(12-11-18(26)31)25(24(34)35,20(19)23(29)33)16-9-7-15(8-10-16)21(27)28/h2-10,17,19-20H,11-13H2,1H3,(H2,26,31)(H3,27,28)(H,34,35)