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

Click to see the large picture

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)(CO)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)(CO)C(=O)O

InChI

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