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

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

CC(C)CC1(C2C(C(N1CCC(=O)N)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)CC1(C2C(C(N1CCC(=O)N)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H33N5O5/c1-16(2)14-28(27(37)38)22-21(25(35)32(26(22)36)15-17-6-4-3-5-7-17)23(33(28)13-12-20(29)34)18-8-10-19(11-9-18)24(30)31/h3-11,16,21-23H,12-15H2,1-2H3,(H2,29,34)(H3,30,31)(H,37,38)