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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-phenethyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-4,6-dioxo-5-phenethyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-4,6-dioxo-5-phenethyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-4,6-dioxo-5-phenethyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(4-amidinophenyl)-2-(3-amino-3-keto-propyl)-4,6-diketo-1-methylol-5-phenethyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H29N5O6 MolecularWeight: 507.53836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3C(N(C(C3C2=O)(C4=CC=C(C=C4)C(=N)N)C(=O)O)CCC(=O)N)CO

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3C(N(C(C3C2=O)(C4=CC=C(C=C4)C(=N)N)C(=O)O)CCC(=O)N)CO

InChI

InChI=1S/C26H29N5O6/c27-19(33)11-13-31-18(14-32)20-21(24(35)30(23(20)34)12-10-15-4-2-1-3-5-15)26(31,25(36)37)17-8-6-16(7-9-17)22(28)29/h1-9,18,20-21,32H,10-14H2,(H2,27,33)(H3,28,29)(H,36,37)