3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]propanamide

Systemtic Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]propanamide Openeye Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-2-methyl-1-[(3R,4S)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl]propyl]propanamide CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxobutan-2-yl]propanamide IUPAC Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]propanamide Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-[(3R,4S)-2,5-diketo-4-methyl-pyrrolidine-3-carbonyl]-2-methyl-propyl]propionamide Formula: C31H33N3O9 MolecularWeight: 591.60842

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC1=O)C(=O)C(C(C)C)NC(=O)CC(C2=CC3=C(C=C2)OCCO3)NC(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H]1[C@@H](C(=O)NC1=O)C(=O)[C@H](C(C)C)NC(=O)CC(C2=CC3=C(C=C2)OCCO3)NC(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H33N3O9/c1-16(2)28(29(37)27-17(3)30(38)34-31(27)39)33-26(36)14-20(19-6-8-21-24(13-19)41-11-10-40-21)32-25(35)9-5-18-4-7-22-23(12-18)43-15-42-22/h4-9,12-13,16-17,20,27-28H,10-11,14-15H2,1-3H3,(H,32,35)(H,33,36)(H,34,38,39)/b9-5+/t17-,20?,27+,28-/m0/s1