3-[3-(aminocarbonylamino)propyl]-5-(2,6-diethylphenyl)-1-(2-hydroxyphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-[3-(aminocarbonylamino)propyl]-5-(2,6-diethylphenyl)-1-(2-hydroxyphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2,6-diethylphenyl)-1-(2-hydroxyphenyl)-4,6-dioxo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[3-(carbamoylamino)propyl]-5-(2,6-diethylphenyl)-1-(2-hydroxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-[3-(carbamoylamino)propyl]-5-(2,6-diethylphenyl)-1-(2-hydroxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2,6-diethylphenyl)-1-(2-hydroxyphenyl)-4,6-diketo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H32N4O6 MolecularWeight: 508.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4O)(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4O)(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C27H32N4O6/c1-3-15-9-7-10-16(4-2)22(15)31-23(33)19-20(24(31)34)27(25(35)36,13-8-14-29-26(28)37)30-21(19)17-11-5-6-12-18(17)32/h5-7,9-12,19-21,30,32H,3-4,8,13-14H2,1-2H3,(H,35,36)(H3,28,29,37)