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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-5-butyl-1-(4-carbamimidoylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-3-benzyl-5-butyl-1-(4-carbamimidoylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-5-butyl-1-(4-carbamimidoylphenyl)-4,6-dioxo-3-(phenylmethyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-3-benzyl-5-butyl-1-(4-carbamimidoylphenyl)-4,6-dioxo-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-5-butyl-4,6-diketo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(N(C2C3=CC=C(C=C3)C(=N)N)CCC(=O)N)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(N(C2C3=CC=C(C=C3)C(=N)N)CCC(=O)N)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H33N5O5/c1-2-3-14-32-25(35)21-22(26(32)36)28(27(37)38,16-17-7-5-4-6-8-17)33(15-13-20(29)34)23(21)18-9-11-19(12-10-18)24(30)31/h4-12,21-23H,2-3,13-16H2,1H3,(H2,29,34)(H3,30,31)(H,37,38)