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

Systemtic Name: 3-[3-(aminocarbonylamino)propyl]-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-4,6-dioxo-1-(4-propoxyphenyl)-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[3-(carbamoylamino)propyl]-4,6-dioxo-5-(phenylmethyl)-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-(4-propoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-4,6-diketo-1-(4-propoxyphenyl)-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:

CCCOC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C27H32N4O6/c1-2-15-37-19-11-9-18(10-12-19)22-20-21(27(30-22,25(34)35)13-6-14-29-26(28)36)24(33)31(23(20)32)16-17-7-4-3-5-8-17/h3-5,7-12,20-22,30H,2,6,13-16H2,1H3,(H,34,35)(H3,28,29,36)