3-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-3-(4-carbamimidoylphenyl)-2-methyl-4,6-bis(oxidanylidene)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-1-yl]-N-phenylmethoxy-propanamide

Systemtic Name: 3-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-3-(4-carbamimidoylphenyl)-2-methyl-4,6-bis(oxidanylidene)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-1-yl]-N-phenylmethoxy-propanamide Openeye Name: 3-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-3-(4-carbamimidoylphenyl)-2-methyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-1-yl]-N-benzyloxy-propanamide CAS Name: 3-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-3-(4-carbamimidoylphenyl)-2-methyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-1-yl]-N-phenylmethoxypropanamide IUPAC Name: 3-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-3-(4-carbamimidoylphenyl)-2-methyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-1-yl]-N-phenylmethoxypropanamide Traditional Name: 3-[(1S,3R,3aS,6aR)-3-(4-amidinophenyl)-4,6-diketo-2-methyl-5-piperonyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-1-yl]-N-benzoxy-propionamide Formula: C32H33N5O6 MolecularWeight: 583.63432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2C(C1C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)CCC(=O)NOCC6=CC=CC=C6

Isomeric SMILES

CN1[C@H]([C@H]2[C@@H]([C@@H]1C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)CCC(=O)NOCC6=CC=CC=C6

InChI

InChI=1S/C32H33N5O6/c1-36-23(12-14-26(38)35-43-17-19-5-3-2-4-6-19)27-28(29(36)21-8-10-22(11-9-21)30(33)34)32(40)37(31(27)39)16-20-7-13-24-25(15-20)42-18-41-24/h2-11,13,15,23,27-29H,12,14,16-18H2,1H3,(H3,33,34)(H,35,38)/t23-,27-,28-,29-/m0/s1