3-[3-(aminocarbonylamino)propyl]-5-(2,6-diethylphenyl)-1-(2,4-dimethoxy-3-methyl-phenyl)-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-(2,4-dimethoxy-3-methyl-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2,6-diethylphenyl)-1-(2,4-dimethoxy-3-methyl-phenyl)-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-(2,4-dimethoxy-3-methylphenyl)-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-(2,4-dimethoxy-3-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2,6-diethylphenyl)-1-(2,4-dimethoxy-3-methyl-phenyl)-4,6-diketo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H38N4O7 MolecularWeight: 566.64532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=C(C=C4)OC)C)OC)(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=C(C(=C(C=C4)OC)C)OC)(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C30H38N4O7/c1-6-17-10-8-11-18(7-2)24(17)34-26(35)21-22(27(34)36)30(28(37)38,14-9-15-32-29(31)39)33-23(21)19-12-13-20(40-4)16(3)25(19)41-5/h8,10-13,21-23,33H,6-7,9,14-15H2,1-5H3,(H,37,38)(H3,31,32,39)