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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-1-(4-carbamimidoylphenyl)-4,6-bis(oxidanylidene)-5-phenyl-3-(phenylmethyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-3-benzyl-1-(4-carbamimidoylphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-1-(4-carbamimidoylphenyl)-4,6-dioxo-5-phenyl-3-(phenylmethyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-3-benzyl-1-(4-carbamimidoylphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-amidinophenyl)-2-(3-amino-3-keto-propyl)-3-benzyl-4,6-diketo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H29N5O5 MolecularWeight: 539.58176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C3C(C(N2CCC(=O)N)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2(C3C(C(N2CCC(=O)N)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H29N5O5/c31-22(36)15-16-34-25(19-11-13-20(14-12-19)26(32)33)23-24(28(38)35(27(23)37)21-9-5-2-6-10-21)30(34,29(39)40)17-18-7-3-1-4-8-18/h1-14,23-25H,15-17H2,(H2,31,36)(H3,32,33)(H,39,40)