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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3C(C2=O)C(N(C3C4=CC=C(C=C4)C(=N)N)CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3C(C2=O)C(N(C3C4=CC=C(C=C4)C(=N)N)CCC(=O)N)C(=O)O

InChI

InChI=1S/C25H27N5O5/c26-17(31)11-13-29-20(15-6-8-16(9-7-15)22(27)28)18-19(21(29)25(34)35)24(33)30(23(18)32)12-10-14-4-2-1-3-5-14/h1-9,18-21H,10-13H2,(H2,26,31)(H3,27,28)(H,34,35)