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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N(C2=O)CC3=CC=CC=C3)C(N1CCC(=O)N)(C4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC1C2C(C(=O)N(C2=O)CC3=CC=CC=C3)C(N1CCC(=O)N)(C4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

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